 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer01_STD_LCPBE_augccpVDZ.in
 Output=22_phenylethanamine_conformer01_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-5798.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5818.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=22_phenylethanamine_conformer01_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028200000
 0,3/108=0282000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=282000000,108=282000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "22_phenylethanamine_conformer01_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.111307000000     -1.069417000000     -0.102024000000
  C                                                 0.734884000000     -1.260349000000     -0.166437000000
  C                                                -0.144890000000     -0.185381000000     -0.068831000000
  C                                                 0.388544000000      1.093690000000      0.095425000000
  C                                                 1.760545000000      1.291465000000      0.161002000000
  C                                                 2.628739000000      0.208429000000      0.062356000000
  C                                                -1.647711000000     -0.410794000000     -0.128779000000
  N                                                -2.350691000000      0.384938000000     -1.140870000000
  C                                                -2.300778000000     -0.170753000000      1.231094000000
  H                                                -1.882449000000      0.311028000000     -2.037050000000
  H                                                -1.804291000000     -1.459889000000     -0.395933000000
  H                                                -1.843351000000     -0.797458000000      1.996908000000
  H                                                -3.367500000000     -0.390246000000      1.178808000000
  H                                                -2.178114000000      0.871199000000      1.538101000000
  H                                                -0.274240000000      1.947756000000      0.170051000000
  H                                                 2.155180000000      2.291537000000      0.289393000000
  H                                                 3.698964000000      0.362116000000      0.110832000000
  H                                                 2.777726000000     -1.918812000000     -0.183587000000
  H                                                 0.336513000000     -2.260101000000     -0.296821000000
  H                                                -2.347436000000      1.366960000000     -0.887454000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391095   0.000000
     3  C    2.423437   1.392510   0.000000
     4  C    2.772351   2.393747   1.395548   0.000000
     5  C    2.401246   2.769648   2.421689   1.387733   0.000000
     6  C    1.388397   2.407559   2.804517   2.408994   1.391567
     7  C    3.816375   2.529806   1.520814   2.541668   3.820716
     8  N    4.806639   3.630050   2.517953   3.087744   4.406691
     9  C    4.695881   3.515047   2.517513   3.181354   4.447193
    10  H    4.647584   3.580342   2.671969   3.212074   4.366245
    11  H    3.945980   2.557322   2.117777   3.401577   4.537420
    12  H    4.485398   3.397297   2.743481   3.489045   4.552166
    13  H    5.667374   4.404125   3.461761   4.181346   5.491896
    14  H    4.985492   3.991805   2.798677   2.952719   4.193574
    15  H    3.855929   3.379866   2.150365   1.083642   2.138025
    16  H    3.383954   3.852391   3.399084   2.143237   1.082758
    17  H    2.148313   3.390434   3.886804   3.390327   2.150273
    18  H    1.082700   2.146409   3.399947   3.855024   3.385155
    19  H    2.146059   1.084068   2.142006   3.377052   3.853711
    20  H    5.141325   4.113796   2.816224   2.919985   4.240338
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.325274   0.000000
     8  N    5.125781   1.466867   0.000000
     9  C    5.080341   1.527537   2.436698   0.000000
    10  H    4.976831   2.053686   1.013830   3.329846   0.000000
    11  H    4.758684   1.093841   2.063219   2.134382   2.415682
    12  H    4.975328   2.169408   3.391328   1.090170   4.183669
    13  H    6.128602   2.160528   2.648720   1.090324   3.610942
    14  H    5.071777   2.168714   2.728208   1.093144   3.630828
    15  H    3.385874   2.745629   2.910767   3.117812   3.183789
    16  H    2.148288   4.683956   5.097416   5.177377   5.063319
    17  H    1.082290   5.407563   6.177832   6.126650   5.980650
    18  H    2.146588   4.675641   5.703009   5.554119   5.488601
    19  H    3.387765   2.717594   3.863899   3.695295   3.816136
    20  H    5.196792   2.055629   1.014198   2.618202   1.628735
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483149   0.000000
    13  H    2.463243   1.777115   0.000000
    14  H    3.051918   1.762665   1.770586   0.000000
    15  H    3.778020   3.651810   4.006507   2.579781   0.000000
    16  H    5.497297   5.333456   6.203468   4.728009   2.456524
    17  H    5.819135   5.968178   7.186204   6.069292   4.278330
    18  H    4.609835   5.231285   6.477379   5.942114   4.938614
    19  H    2.287620   3.486018   4.403811   4.415351   4.277505
    20  H    2.920218   3.641202   2.897886   2.481485   2.398704
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477462   0.000000
    18  H    4.282326   2.477498   0.000000
    19  H    4.936457   4.283489   2.467554   0.000000
    20  H    4.744825   6.210092   6.128541   4.550604   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4368554           1.0875586           0.9903475
 Leave Link  202 at Mon Aug 16 21:22:07 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.1332285289 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.282000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.282000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:              11.1 elap:               1.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.77D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:22:09 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer01_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:22:10 2021, MaxMem=  5637144576 cpu:               2.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636928854 LenY=  5636823437
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -365.061599512260    
 DIIS: error= 3.07D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -365.061599512260     IErMin= 1 ErrMin= 3.07D-03
 ErrMax= 3.07D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.37D-03 BMatP= 9.37D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.07D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.370 Goal=   None    Shift=    0.000
 GapD=    0.370 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.23D-02 MaxDP=2.86D+00              OVMax= 1.97D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.11D-02    CP:  1.63D+00
 E= -365.070477962243     Delta-E=       -0.008878449982 Rises=F Damp=F
 DIIS: error= 9.03D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -365.070477962243     IErMin= 2 ErrMin= 9.03D-04
 ErrMax= 9.03D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.83D-04 BMatP= 9.37D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.03D-03
 Coeff-Com: -0.168D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.166D-01 0.102D+01
 Gap=     0.354 Goal=   None    Shift=    0.000
 RMSDP=9.57D-03 MaxDP=5.47D-01 DE=-8.88D-03 OVMax= 6.10D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.86D-03    CP:  1.75D+00  1.18D+00
 E= -365.070741320482     Delta-E=       -0.000263358240 Rises=F Damp=F
 DIIS: error= 4.44D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -365.070741320482     IErMin= 3 ErrMin= 4.44D-04
 ErrMax= 4.44D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-04 BMatP= 2.83D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.44D-03
 Coeff-Com: -0.296D-01 0.439D+00 0.591D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.295D-01 0.437D+00 0.592D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=1.04D-03 MaxDP=5.13D-02 DE=-2.63D-04 OVMax= 3.26D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.41D-04    CP:  1.76D+00  1.19D+00  1.07D+00
 E= -365.070888664170     Delta-E=       -0.000147343687 Rises=F Damp=F
 DIIS: error= 9.52D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -365.070888664170     IErMin= 4 ErrMin= 9.52D-05
 ErrMax= 9.52D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-06 BMatP= 1.63D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.466D-02-0.104D-01 0.141D+00 0.874D+00
 Coeff:     -0.466D-02-0.104D-01 0.141D+00 0.874D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=4.55D-04 MaxDP=2.61D-02 DE=-1.47D-04 OVMax= 1.16D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.78D-05    CP:  1.76D+00  1.20D+00  1.15D+00  1.17D+00
 E= -365.070897794925     Delta-E=       -0.000009130756 Rises=F Damp=F
 DIIS: error= 4.72D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -365.070897794925     IErMin= 5 ErrMin= 4.72D-05
 ErrMax= 4.72D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-06 BMatP= 7.65D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-02-0.495D-01-0.278D-02 0.343D+00 0.708D+00
 Coeff:      0.113D-02-0.495D-01-0.278D-02 0.343D+00 0.708D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=7.18D-05 MaxDP=4.53D-03 DE=-9.13D-06 OVMax= 5.85D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  3.65D-05    CP:  1.77D+00  1.20D+00  1.17D+00  1.18D+00  1.24D+00
 E= -365.070899347313     Delta-E=       -0.000001552388 Rises=F Damp=F
 DIIS: error= 8.47D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -365.070899347313     IErMin= 6 ErrMin= 8.47D-06
 ErrMax= 8.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.63D-08 BMatP= 1.22D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.697D-03-0.980D-02-0.114D-01 0.244D-03 0.163D+00 0.857D+00
 Coeff:      0.697D-03-0.980D-02-0.114D-01 0.244D-03 0.163D+00 0.857D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=2.49D-05 MaxDP=1.31D-03 DE=-1.55D-06 OVMax= 2.09D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.02D-05    CP:  1.76D+00  1.20D+00  1.17D+00  1.20D+00  1.37D+00
                    CP:  1.16D+00
 E= -365.070899481111     Delta-E=       -0.000000133798 Rises=F Damp=F
 DIIS: error= 3.75D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -365.070899481111     IErMin= 7 ErrMin= 3.75D-06
 ErrMax= 3.75D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.45D-08 BMatP= 6.63D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.167D-03 0.165D-02-0.390D-02-0.402D-01-0.193D-01 0.327D+00
 Coeff-Com:  0.735D+00
 Coeff:      0.167D-03 0.165D-02-0.390D-02-0.402D-01-0.193D-01 0.327D+00
 Coeff:      0.735D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.01D-05 MaxDP=5.94D-04 DE=-1.34D-07 OVMax= 9.89D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.15D-06    CP:  1.76D+00  1.20D+00  1.17D+00  1.21D+00  1.39D+00
                    CP:  1.26D+00  1.12D+00
 E= -365.070899505995     Delta-E=       -0.000000024883 Rises=F Damp=F
 DIIS: error= 1.47D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -365.070899505995     IErMin= 8 ErrMin= 1.47D-06
 ErrMax= 1.47D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-09 BMatP= 1.45D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.887D-04 0.248D-02 0.904D-03-0.154D-01-0.372D-01-0.385D-01
 Coeff-Com:  0.274D+00 0.813D+00
 Coeff:     -0.887D-04 0.248D-02 0.904D-03-0.154D-01-0.372D-01-0.385D-01
 Coeff:      0.274D+00 0.813D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=3.75D-06 MaxDP=1.85D-04 DE=-2.49D-08 OVMax= 4.37D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.38D-06    CP:  1.76D+00  1.20D+00  1.17D+00  1.21D+00  1.40D+00
                    CP:  1.29D+00  1.23D+00  1.10D+00
 E= -365.070899510244     Delta-E=       -0.000000004249 Rises=F Damp=F
 DIIS: error= 2.81D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -365.070899510244     IErMin= 9 ErrMin= 2.81D-07
 ErrMax= 2.81D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.31D-11 BMatP= 2.07D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.161D-04-0.542D-05 0.335D-03 0.253D-02 0.495D-04-0.308D-01
 Coeff-Com: -0.435D-01 0.508D-01 0.102D+01
 Coeff:     -0.161D-04-0.542D-05 0.335D-03 0.253D-02 0.495D-04-0.308D-01
 Coeff:     -0.435D-01 0.508D-01 0.102D+01
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=8.96D-07 MaxDP=5.18D-05 DE=-4.25D-09 OVMax= 1.45D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.98D-07    CP:  1.76D+00  1.20D+00  1.17D+00  1.21D+00  1.40D+00
                    CP:  1.29D+00  1.24D+00  1.13D+00  1.12D+00
 E= -365.070899510520     Delta-E=       -0.000000000277 Rises=F Damp=F
 DIIS: error= 1.15D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -365.070899510520     IErMin=10 ErrMin= 1.15D-07
 ErrMax= 1.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-11 BMatP= 7.31D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.381D-05-0.251D-03 0.105D-04 0.241D-02 0.374D-02-0.658D-02
 Coeff-Com: -0.399D-01-0.647D-01 0.334D+00 0.771D+00
 Coeff:      0.381D-05-0.251D-03 0.105D-04 0.241D-02 0.374D-02-0.658D-02
 Coeff:     -0.399D-01-0.647D-01 0.334D+00 0.771D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=3.62D-07 MaxDP=1.95D-05 DE=-2.77D-10 OVMax= 3.44D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.11D-07    CP:  1.76D+00  1.20D+00  1.17D+00  1.21D+00  1.40D+00
                    CP:  1.29D+00  1.23D+00  1.13D+00  1.11D+00  1.08D+00
 E= -365.070899510541     Delta-E=       -0.000000000021 Rises=F Damp=F
 DIIS: error= 4.56D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -365.070899510541     IErMin=11 ErrMin= 4.56D-08
 ErrMax= 4.56D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.51D-12 BMatP= 1.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.297D-05-0.668D-04-0.390D-04 0.363D-03 0.904D-03 0.197D-02
 Coeff-Com: -0.391D-02-0.242D-01-0.381D-01 0.201D+00 0.862D+00
 Coeff:      0.297D-05-0.668D-04-0.390D-04 0.363D-03 0.904D-03 0.197D-02
 Coeff:     -0.391D-02-0.242D-01-0.381D-01 0.201D+00 0.862D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=8.28D-08 MaxDP=5.02D-06 DE=-2.11D-11 OVMax= 1.39D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  4.08D-08    CP:  1.76D+00  1.20D+00  1.17D+00  1.21D+00  1.40D+00
                    CP:  1.28D+00  1.23D+00  1.13D+00  1.10D+00  1.13D+00
                    CP:  1.03D+00
 E= -365.070899510578     Delta-E=       -0.000000000037 Rises=F Damp=F
 DIIS: error= 1.62D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -365.070899510578     IErMin=12 ErrMin= 1.62D-08
 ErrMax= 1.62D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.63D-13 BMatP= 1.51D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.233D-06 0.145D-04-0.125D-04-0.202D-03-0.285D-03 0.127D-02
 Coeff-Com:  0.426D-02 0.168D-02-0.501D-01-0.568D-01 0.199D+00 0.901D+00
 Coeff:      0.233D-06 0.145D-04-0.125D-04-0.202D-03-0.285D-03 0.127D-02
 Coeff:      0.426D-02 0.168D-02-0.501D-01-0.568D-01 0.199D+00 0.901D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=3.73D-08 MaxDP=2.44D-06 DE=-3.71D-11 OVMax= 4.87D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.11D-08    CP:  1.76D+00  1.20D+00  1.17D+00  1.21D+00  1.40D+00
                    CP:  1.28D+00  1.23D+00  1.12D+00  1.10D+00  1.14D+00
                    CP:  1.11D+00  1.11D+00
 E= -365.070899510590     Delta-E=       -0.000000000011 Rises=F Damp=F
 DIIS: error= 3.06D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -365.070899510590     IErMin=13 ErrMin= 3.06D-09
 ErrMax= 3.06D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-14 BMatP= 1.63D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.950D-07 0.795D-05-0.170D-05-0.763D-04-0.136D-03 0.216D-03
 Coeff-Com:  0.140D-02 0.186D-02-0.107D-01-0.287D-01 0.141D-02 0.240D+00
 Coeff-Com:  0.794D+00
 Coeff:     -0.950D-07 0.795D-05-0.170D-05-0.763D-04-0.136D-03 0.216D-03
 Coeff:      0.140D-02 0.186D-02-0.107D-01-0.287D-01 0.141D-02 0.240D+00
 Coeff:      0.794D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=1.39D-08 MaxDP=8.21D-07 DE=-1.15D-11 OVMax= 9.36D-08

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  3.26D-09    CP:  1.76D+00  1.20D+00  1.17D+00  1.21D+00  1.40D+00
                    CP:  1.28D+00  1.23D+00  1.12D+00  1.09D+00  1.14D+00
                    CP:  1.11D+00  1.15D+00  1.07D+00
 E= -365.070899510615     Delta-E=       -0.000000000025 Rises=F Damp=F
 DIIS: error= 1.77D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -365.070899510615     IErMin=14 ErrMin= 1.77D-09
 ErrMax= 1.77D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.57D-15 BMatP= 1.21D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.813D-07 0.165D-05 0.935D-06-0.628D-05-0.222D-04-0.756D-04
 Coeff-Com:  0.487D-04 0.592D-03 0.205D-02-0.496D-02-0.245D-01-0.200D-01
 Coeff-Com:  0.315D+00 0.732D+00
 Coeff:     -0.813D-07 0.165D-05 0.935D-06-0.628D-05-0.222D-04-0.756D-04
 Coeff:      0.487D-04 0.592D-03 0.205D-02-0.496D-02-0.245D-01-0.200D-01
 Coeff:      0.315D+00 0.732D+00
 Gap=     0.353 Goal=   None    Shift=    0.000
 RMSDP=4.55D-09 MaxDP=2.57D-07 DE=-2.54D-11 OVMax= 3.04D-08

 SCF Done:  E(RLC-PBE+HF-PBE) =  -365.070899511     A.U. after   14 cycles
            NFock= 14  Conv=0.46D-08     -V/T= 2.0047
 KE= 3.633460696205D+02 PE=-1.698612964798D+03 EE= 5.450627671376D+02
 Leave Link  502 at Mon Aug 16 21:24:49 2021, MaxMem=  5637144576 cpu:            1271.0 elap:             159.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.12140730D+03

 Leave Link  801 at Mon Aug 16 21:24:49 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 3.62D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 2.03D-01 6.40D-02.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 3.91D-02 5.85D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 3.91D-03 1.23D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 5.83D-04 4.72D-03.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 3.15D-05 6.32D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 1.30D-06 1.41D-04.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 3.33D-08 2.76D-05.
     11 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 8.37D-10 4.99D-06.
     11 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 2.20D-11 6.80D-07.
      8 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 4.48D-13 9.18D-08.
      2 vectors produced by pass 11 Test12= 1.50D-13 8.33D-09 XBig12= 1.05D-14 1.69D-08.
      1 vectors produced by pass 12 Test12= 1.50D-13 8.33D-09 XBig12= 8.95D-15 1.45D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 6.39D-14
 Solved reduced A of dimension   121 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.138036D+03
      2 -0.224067D+00  0.109217D+03
      3  0.102460D+01  0.257379D+01  0.791055D+02
 Isotropic polarizability for W=    0.085645      108.79 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.627597D+02  0.459570D+00 -0.838405D+00
      2  -0.928188D+01  0.414727D+00 -0.520419D+01
      3  -0.534779D+02 -0.874297D+00  0.604259D+01
      4   0.269742D+01  0.734166D+02  0.182185D+02
      5   0.972846D+01  0.180882D+02 -0.477051D+02
      6   0.697496D+01  0.720355D+01 -0.841455D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.851521D+00  0.289812D+01  0.161175D+01
      2   0.826549D+00  0.827016D+01 -0.186825D+02
      3  -0.445642D+01 -0.350966D+02 -0.804219D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.130214D+00  0.124077D+02 -0.790152D+00
      2  -0.105669D+02  0.112435D+02  0.577279D+01
      3   0.223785D+01 -0.826985D+02 -0.111133D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.814354D-01 -0.701058D+00  0.892131D+00
      2  -0.701058D+00 -0.163598D+01  0.382906D+01
      3   0.892131D+00  0.382906D+01  0.930999D+00
 OR G Eigenvalues:    -4.6431     0.3052     3.7144  Iso=     0.2078
 Eigenvectors:
   (1)   0.225356   0.785848  -0.575898
   (2)   0.970120  -0.235541   0.058209
   (3)   0.089904   0.571807   0.815447
 w=    0.085645 a.u., Optical Rotation Beta=      0.2078 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       81.35 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 1.97D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.31D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 4.68D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 4.31D-02 3.43D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 1.20D-03 8.31D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 2.56D-05 8.52D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 3.72D-07 1.01D-04.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 5.41D-09 6.88D-06.
     30 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 5.71D-11 6.61D-07.
     30 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 4.35D-13 7.71D-08.
     10 vectors produced by pass  8 Test12= 2.50D-14 2.78D-09 XBig12= 4.79D-15 1.09D-08.
      4 vectors produced by pass  9 Test12= 2.50D-14 2.78D-09 XBig12= 7.25D-16 5.96D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.11D-15
 Solved reduced A of dimension   254 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 8.01D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 8.01D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.15D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.138036D+03 -0.224067D+00  0.102460D+01
      2  -0.224067D+00  0.109217D+03  0.257379D+01
      3   0.102460D+01  0.257379D+01  0.791055D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.851521D+00  0.289812D+01  0.161175D+01
      2   0.826549D+00  0.827016D+01 -0.186825D+02
      3  -0.445642D+01 -0.350966D+02 -0.804219D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.627597D+02  0.459570D+00 -0.838405D+00
      2  -0.928188D+01  0.414727D+00 -0.520419D+01
      3  -0.534779D+02 -0.874297D+00  0.604259D+01
      4   0.269742D+01  0.734166D+02  0.182185D+02
      5   0.972846D+01  0.180882D+02 -0.477051D+02
      6   0.697496D+01  0.720355D+01 -0.841455D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.280644D+01 -0.876911D+00 -0.317662D+00 -0.572044D+01 -0.103214D+01
      2  -0.876911D+00  0.327551D+01  0.330716D+00 -0.103214D+01 -0.495609D+00
      3  -0.317662D+00  0.330716D+00  0.156787D+01 -0.510912D+00  0.628966D+00
                 6             7             8             9            10 
      1  -0.510912D+00 -0.115274D+01 -0.384695D+00  0.298843D+01  0.596930D+01
      2   0.628966D+00 -0.384695D+00  0.100977D+01 -0.355698D+01  0.249696D+01
      3  -0.204656D+01  0.298843D+01 -0.355698D+01 -0.956968D+00  0.771127D+00
                11            12            13            14            15 
      1   0.249696D+01  0.771127D+00 -0.729700D+01 -0.171461D+00 -0.103271D+00
      2  -0.253279D+01  0.314749D-01 -0.171461D+00 -0.137495D+01  0.584703D+00
      3   0.314749D-01 -0.112249D+01 -0.103271D+00  0.584703D+00 -0.219399D+01
                16            17            18            19            20 
      1  -0.895094D+00  0.595511D+00 -0.139730D+01 -0.188540D+02 -0.132408D+01
      2   0.595511D+00  0.713506D+00 -0.393774D+01 -0.132408D+01 -0.205372D+01
      3  -0.139730D+01 -0.393774D+01 -0.144425D+01 -0.398340D+00  0.218010D-01
                21            22            23            24            25 
      1  -0.398340D+00 -0.213024D+01  0.178319D+01  0.887235D+00 -0.449618D+00
      2   0.218010D-01  0.178319D+01 -0.617842D+00 -0.534398D-01  0.611168D+00
      3  -0.236901D+01  0.887235D+00 -0.534398D-01  0.333833D+00 -0.414962D+01
                26            27            28            29            30 
      1   0.611168D+00 -0.414962D+01  0.447150D+01 -0.683813D+00  0.531498D+00
      2  -0.363009D+00 -0.435076D+00 -0.683813D+00 -0.353537D+01 -0.328220D+00
      3  -0.435076D+00 -0.223621D-01  0.531498D+00 -0.328220D+00 -0.164412D+01
                31            32            33            34            35 
      1   0.836744D+01 -0.198517D+00  0.422661D+00  0.131327D+01  0.775635D-01
      2  -0.198517D+00  0.728815D+00 -0.486848D+00  0.775635D-01 -0.768218D+00
      3   0.422661D+00 -0.486848D+00  0.158600D+01 -0.180088D+01  0.313103D+01
                36            37            38            39            40 
      1  -0.180088D+01 -0.513266D+01 -0.567651D+00 -0.440538D+00  0.569938D+01
      2   0.313103D+01 -0.567651D+00  0.207047D+01 -0.726254D-02  0.608481D-01
      3   0.780049D+00 -0.440538D+00 -0.726254D-02  0.762065D+00 -0.415050D-01
                41            42            43            44            45 
      1   0.608481D-01 -0.415050D-01  0.402544D+00 -0.379723D+00  0.203567D+01
      2   0.114024D+01 -0.674407D+00 -0.379723D+00 -0.728254D+00  0.411571D+01
      3  -0.674407D+00  0.233202D+01  0.203567D+01  0.411571D+01  0.133846D+01
                46            47            48            49            50 
      1   0.661967D+01  0.276453D+00  0.277710D-01  0.450818D+00 -0.512249D+00
      2   0.276453D+00  0.313219D+01  0.126486D-01 -0.512249D+00 -0.172735D+00
      3   0.277710D-01  0.126486D-01  0.295152D+01 -0.864344D+00 -0.171663D+00
                51            52            53            54            55 
      1  -0.864344D+00 -0.175469D+00 -0.690254D+00  0.555713D+01  0.327198D+01
      2  -0.171663D+00 -0.690254D+00 -0.508183D-01  0.667905D+00  0.195425D+00
      3   0.355308D+00  0.555713D+01  0.667905D+00  0.609440D+00 -0.114934D+01
                56            57            58            59            60 
      1   0.195425D+00 -0.114934D+01 -0.425386D+01  0.976645D+00 -0.152700D+01
      2  -0.256661D+00 -0.763045D+00  0.976645D+00  0.638226D+01  0.207194D+01
      3  -0.763045D+00  0.291736D+01 -0.152700D+01  0.207194D+01 -0.125829D+01
                61            62            63            64            65 
      1   0.107629D+00 -0.769234D+00  0.588105D+01 -0.261461D+01  0.105428D+01
      2  -0.769234D+00  0.143350D+01 -0.128134D+00  0.105428D+01  0.156131D+00
      3   0.588105D+01 -0.128134D+00 -0.146244D+01 -0.589293D+00  0.871121D+00
                66            67            68            69            70 
      1  -0.589293D+00  0.365735D+01 -0.121327D+01  0.581136D+00 -0.228449D+01
      2   0.871121D+00 -0.121327D+01 -0.484119D+01 -0.130883D+01  0.411210D+00
      3  -0.430389D+01  0.581136D+00 -0.130883D+01  0.267013D+00 -0.506293D+01
                71            72            73            74            75 
      1   0.411210D+00 -0.506293D+01  0.819751D+01  0.202337D+01 -0.594858D+00
      2  -0.496248D+00  0.570240D-01  0.202337D+01 -0.929568D+00  0.744021D+00
      3   0.570240D-01  0.230674D+01 -0.594858D+00  0.744021D+00 -0.343270D+01
                76            77            78            79            80 
      1   0.323537D+01 -0.661379D+00  0.645656D+00  0.381597D+01  0.901514D+00
      2  -0.661379D+00 -0.369762D+01 -0.327629D+01  0.901514D+00 -0.273411D+01
      3   0.645656D+00 -0.327629D+01  0.188792D+01 -0.435894D+01  0.127639D+01
                81            82            83            84            85 
      1  -0.435894D+01 -0.935767D-01 -0.115243D+00 -0.586679D+00 -0.931802D+00
      2   0.127639D+01 -0.115243D+00  0.268752D+00 -0.162096D+00 -0.766715D-01
      3   0.504565D+00 -0.586679D+00 -0.162096D+00  0.297777D+01  0.109968D+00
                86            87            88            89            90 
      1  -0.766715D-01  0.109968D+00 -0.206487D+01  0.740859D-01  0.106226D+01
      2   0.721233D-01 -0.781501D+00  0.740859D-01 -0.124600D+01  0.650114D+00
      3  -0.781501D+00 -0.449725D+00  0.106226D+01  0.650114D+00 -0.794440D+01
                91            92            93            94            95 
      1   0.558357D-01 -0.123739D+01 -0.216868D+00 -0.231408D+01 -0.147221D+01
      2  -0.123739D+01 -0.984897D+00 -0.157674D+00 -0.147221D+01 -0.709725D+01
      3  -0.216868D+00 -0.157674D+00 -0.705732D+00 -0.116111D+00 -0.119604D+01
                96            97            98            99           100 
      1  -0.116111D+00 -0.256399D+00 -0.154453D+00 -0.951552D+00  0.408210D+00
      2  -0.119604D+01 -0.154453D+00 -0.135268D+01 -0.112380D+01 -0.751399D+00
      3  -0.160337D+01 -0.951552D+00 -0.112380D+01 -0.874663D+00  0.746721D+00
               101           102           103           104           105 
      1  -0.751399D+00  0.746721D+00 -0.135197D+01  0.163414D+00 -0.703724D-01
      2   0.918631D+00 -0.813855D+00  0.163414D+00 -0.195689D+01  0.221751D+01
      3  -0.813855D+00  0.230937D+01 -0.703724D-01  0.221751D+01 -0.297374D+01
               106           107           108           109           110 
      1   0.797237D+00 -0.294812D+00  0.445441D+00 -0.129555D+02 -0.156994D+01
      2  -0.294812D+00  0.200209D+01 -0.210914D+01 -0.156994D+01 -0.125210D+01
      3   0.445441D+00 -0.210914D+01  0.520639D+01  0.209079D+01  0.231252D+00
               111           112           113           114           115 
      1   0.209079D+01 -0.234476D+01 -0.143198D+01  0.431405D+00 -0.605836D+00
      2   0.231252D+00 -0.143198D+01 -0.424352D+00  0.546080D+00 -0.396327D-01
      3  -0.172342D+01  0.431405D+00  0.546080D+00 -0.668206D+00 -0.641531D+00
               116           117           118           119           120 
      1  -0.396327D-01 -0.641531D+00 -0.408612D+00  0.550358D+00  0.161362D+00
      2   0.840084D-01 -0.307311D+00  0.550358D+00  0.204860D+00 -0.206843D-02
      3  -0.307311D+00  0.753169D-01  0.161362D+00 -0.206843D-02  0.709662D+00
               121           122           123           124           125 
      1   0.200776D+01 -0.562697D+00 -0.834687D+00  0.319310D+00 -0.225725D+00
      2  -0.562697D+00  0.539781D+01  0.214599D+01 -0.225725D+00  0.154959D+01
      3  -0.834687D+00  0.214599D+01  0.259261D+01  0.820195D-01  0.106104D+01
               126           127           128           129           130 
      1   0.820195D-01 -0.366167D+01  0.219923D+01  0.745346D-01  0.283041D+01
      2   0.106104D+01  0.219923D+01 -0.252669D+01 -0.169676D+00 -0.283499D+01
      3   0.165750D+01  0.745346D-01 -0.169676D+00 -0.424353D+00 -0.236246D+00
               131           132           133           134           135 
      1  -0.283499D+01 -0.236246D+00  0.171156D+00 -0.321001D+00  0.610688D-01
      2   0.581232D+01  0.436738D+00 -0.321001D+00  0.498854D+00  0.110737D+00
      3   0.436738D+00  0.842960D+00  0.610688D-01  0.110737D+00  0.105044D+00
               136           137           138           139           140 
      1   0.223327D+01  0.259227D+01  0.329551D+00  0.243961D+01  0.385912D+01
      2   0.259227D+01  0.284195D+01  0.350881D+00  0.385912D+01  0.963466D+01
      3   0.329551D+00  0.350881D+00  0.413610D+00  0.482744D+00  0.108790D+01
               141           142           143           144           145 
      1   0.482744D+00  0.505958D+00  0.510531D+00  0.131522D+00  0.130934D+02
      2   0.108790D+01  0.510531D+00  0.118551D+01  0.181879D+00  0.142308D+01
      3   0.109644D+01  0.131522D+00  0.181879D+00  0.161272D+00  0.488614D+00
               146           147           148           149           150 
      1   0.142308D+01  0.488614D+00  0.140630D+01  0.174242D+01  0.241388D+00
      2   0.102492D+01  0.418110D-01  0.174242D+01  0.544328D+00  0.865061D-01
      3   0.418110D-01  0.102594D+01  0.241388D+00  0.865061D-01  0.153790D+00
               151           152           153           154           155 
      1   0.507067D+00  0.233949D+00 -0.362204D-01  0.511469D+01 -0.392703D+01
      2   0.233949D+00  0.585702D-01  0.200105D-01 -0.392703D+01  0.360652D+01
      3  -0.362204D-01  0.200105D-01  0.487754D-01 -0.328451D+00  0.243819D+00
               156           157           158           159           160 
      1  -0.328451D+00 -0.394960D+01  0.450493D+01  0.437321D+00 -0.345407D+00
      2   0.243819D+00  0.450493D+01 -0.665314D+01 -0.573810D+00  0.425911D+00
      3   0.647672D+00  0.437321D+00 -0.573810D+00 -0.886184D+00  0.138117D+00
               161           162           163           164           165 
      1   0.425911D+00  0.138117D+00 -0.152333D+01 -0.167930D+01 -0.233418D+00
      2  -0.738170D+00 -0.618675D-01 -0.167930D+01 -0.227350D+01 -0.293463D+00
      3  -0.618675D-01 -0.789141D-01 -0.233418D+00 -0.293463D+00 -0.245390D+00
               166           167           168           169           170 
      1  -0.173621D+01 -0.188699D+01 -0.264903D+00 -0.591791D-01 -0.338988D+00
      2  -0.188699D+01 -0.886860D+01 -0.994459D+00 -0.338988D+00 -0.114142D+01
      3  -0.264903D+00 -0.994459D+00 -0.106907D+01  0.121937D+00 -0.235735D+00
               171           172           173           174           175 
      1   0.121937D+00 -0.138499D+01 -0.786484D-01 -0.366523D+00  0.193552D+01
      2  -0.235735D+00 -0.786484D-01 -0.115462D+01 -0.182187D+00 -0.103602D+01
      3  -0.139206D+00 -0.366523D+00 -0.182187D+00 -0.311734D+00  0.329843D+00
               176           177           178           179           180 
      1  -0.103602D+01  0.329843D+00  0.348961D+00 -0.242928D+00 -0.105670D+00
      2   0.648763D+01 -0.289047D+00 -0.242928D+00  0.108354D+01  0.623938D+00
      3  -0.289047D+00  0.170124D+01 -0.105670D+00  0.623938D+00  0.129652D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.959829D+00 -0.559007D+00  0.263291D+01 -0.129814D+01 -0.422422D+00
      2  -0.209455D-01  0.863446D+00  0.241358D+01 -0.148641D+00  0.202306D+01
      3   0.649922D+01 -0.923856D+01 -0.475025D+00  0.897705D+01  0.257911D+01
                 6             7             8             9            10 
      1  -0.189599D+01  0.670797D+01  0.393450D+01  0.494738D+00  0.119659D+01
      2  -0.638579D+01 -0.350191D+01 -0.103373D+02 -0.238990D+01  0.651451D+00
      3  -0.809512D+00  0.417785D+00 -0.163474D+01  0.542863D+01 -0.100963D+02
                11            12            13            14            15 
      1   0.805765D+00 -0.214223D+01  0.363114D+00  0.512423D+00 -0.262197D+01
      2   0.809264D+00 -0.134215D+01  0.172612D+01 -0.382458D+00 -0.121700D+01
      3  -0.432413D+01 -0.153684D+01  0.408802D+01  0.654933D+01 -0.379950D-01
                16            17            18            19            20 
      1  -0.484287D+01  0.600860D+00 -0.504275D+00 -0.182160D+01 -0.137335D+00
      2  -0.122286D+02 -0.206225D+01 -0.104998D+01 -0.329092D+01  0.148444D+00
      3  -0.958753D-01 -0.237595D+00  0.562053D+01  0.567257D+01  0.745358D+01
                21            22            23            24            25 
      1   0.764634D-01 -0.108588D+01 -0.214468D+01  0.110925D+01 -0.700518D+00
      2  -0.233280D+01 -0.652177D+00  0.829432D+00 -0.103733D+01 -0.185262D+02
      3   0.610443D+00  0.191813D+02  0.130176D+01  0.135274D+00 -0.157408D+01
                26            27            28            29            30 
      1   0.105108D+02  0.192443D+01  0.211459D+00 -0.409266D+00  0.277380D+01
      2   0.194533D+00 -0.210020D+01  0.498612D+00  0.206077D+00 -0.110164D+01
      3  -0.606631D+00  0.789481D+00 -0.185848D+01  0.128424D+01  0.535132D+00
                31            32            33            34            35 
      1   0.430492D+00  0.145857D+00 -0.147563D+01  0.700431D+01  0.330689D+01
      2   0.179902D+01  0.200628D+00  0.123004D+01 -0.120298D+02  0.571288D+00
      3  -0.206588D+01 -0.703046D+01 -0.351229D+00 -0.711955D+00  0.786322D+00
                36            37            38            39            40 
      1   0.275104D+00 -0.426945D+00  0.817179D+00 -0.207733D+01  0.774593D+00
      2   0.514740D+00 -0.146999D+00  0.114318D+01 -0.606405D-02  0.580606D+00
      3  -0.633702D+01  0.523179D+01 -0.144815D+02 -0.138033D+01  0.389609D+01
                41            42            43            44            45 
      1   0.877116D-01 -0.347695D+01 -0.550615D+01  0.641472D+00 -0.653771D+00
      2  -0.172723D+01  0.561584D+01 -0.815552D+01  0.956872D+01  0.236025D+01
      3  -0.359754D+00  0.127729D+01  0.451616D+00  0.148467D+01 -0.474804D+01
                46            47            48            49            50 
      1   0.475505D+00 -0.234147D+00 -0.954901D+00 -0.297652D-01 -0.115454D+01
      2  -0.100838D+00 -0.218693D+00  0.788822D+01 -0.300718D+01 -0.217005D+00
      3  -0.402369D+01 -0.647388D+01  0.620475D-01  0.111281D+02 -0.397541D+01
                51            52            53            54            55 
      1   0.271058D+01 -0.213980D+01  0.113835D+02  0.164002D+01 -0.677934D+00
      2   0.153921D+01  0.862208D+01  0.250745D+01  0.134483D+01  0.613830D+01
      3   0.993333D-01  0.186898D+01  0.312618D+00 -0.167843D+01 -0.407720D+01
                56            57            58            59            60 
      1  -0.456850D+00  0.100380D+00  0.150374D+01  0.196765D+01 -0.254511D+01
      2   0.127540D+01 -0.290428D+01 -0.733117D+00 -0.532784D+01  0.236592D+01
      3   0.874057D+00 -0.805307D+00  0.108494D+02  0.129186D+02  0.617518D+01
                61            62            63            64            65 
      1   0.100389D+01  0.181434D+01 -0.134337D+01 -0.233254D+00  0.281865D+01
      2  -0.147800D+02  0.378784D+00  0.203960D+01 -0.234279D+01 -0.156149D+01
      3   0.887846D+00  0.660634D+01 -0.414776D+01  0.640559D+01 -0.971698D+01
                66            67            68            69            70 
      1   0.149661D+01 -0.333630D+00  0.827498D+01 -0.211350D+01 -0.175303D+00
      2   0.187764D+02  0.144799D+01  0.237080D+01  0.162623D+00  0.807143D+01
      3   0.326767D+01 -0.207238D+01 -0.167538D+02 -0.354869D+01  0.909639D+00
                71            72            73            74            75 
      1   0.516150D+01 -0.291808D+01  0.281303D+01 -0.243079D+01  0.633139D+00
      2   0.112568D+01 -0.126225D+02 -0.117991D+02 -0.470233D+01  0.133945D+02
      3  -0.488567D+01 -0.121237D+01  0.577678D+01 -0.716115D+01  0.116156D+01
                76            77            78            79            80 
      1  -0.467812D+00 -0.686436D+01 -0.809006D+01 -0.992479D+00 -0.359521D+01
      2  -0.320477D+01  0.106704D+02 -0.585917D+01  0.820951D+01 -0.438877D+01
      3  -0.106905D+01 -0.121848D+02 -0.103881D+02 -0.521053D+00 -0.103412D+02
                81            82            83            84            85 
      1   0.424347D+01 -0.339380D+00 -0.170877D+01 -0.160298D+01 -0.777933D+00
      2   0.463053D+01  0.441244D+01  0.250181D-01 -0.824753D+01 -0.194209D+01
      3   0.588231D+01 -0.796131D+00  0.925012D+00 -0.241374D+00  0.131956D+01
                86            87            88            89            90 
      1  -0.150985D+00 -0.842521D-01 -0.739403D+00  0.293763D+01  0.227853D+01
      2   0.149532D+01  0.116286D+01 -0.917297D+01 -0.193941D+01  0.222213D+02
      3   0.580267D+00 -0.110984D+01 -0.494434D+00 -0.197961D+01  0.348307D+01
                91            92            93            94            95 
      1  -0.109847D+00 -0.765635D-01 -0.787309D+00 -0.279668D+00  0.279035D-01
      2   0.255420D+00  0.203691D+00  0.207496D+01 -0.650354D-01  0.258663D+01
      3  -0.397355D+01 -0.258964D+01 -0.256983D+00  0.301243D+01 -0.132348D+02
                96            97            98            99           100 
      1  -0.343567D+01 -0.430533D+00  0.106102D+01 -0.921395D+00 -0.129989D+01
      2   0.313743D+01  0.582493D-01  0.155948D+01  0.165788D+01 -0.419348D+01
      3  -0.287524D+01  0.280273D+00 -0.287029D+01 -0.101198D+01 -0.283967D+01
               101           102           103           104           105 
      1   0.236577D+01 -0.881696D-01  0.108492D+01 -0.292632D+01  0.956995D+00
      2   0.314987D+01 -0.586606D+01  0.324570D+01 -0.612771D+01  0.755961D+01
      3   0.246911D+01 -0.217119D+01  0.298661D+01 -0.440563D+01  0.538706D+01
               106           107           108           109           110 
      1  -0.149544D+00  0.462716D+01 -0.169487D+01 -0.158515D+01 -0.245834D+01
      2  -0.539075D+01  0.598837D+01 -0.133334D+02  0.101115D+02  0.149210D+01
      3  -0.137943D+01  0.481704D+01 -0.568514D+01 -0.931146D+00 -0.646926D+01
               111           112           113           114           115 
      1  -0.719417D+00 -0.161981D+01 -0.296223D-01 -0.343173D+00 -0.351795D-01
      2   0.579332D+01  0.188877D+01 -0.119994D+00  0.184909D+01  0.572870D+00
      3   0.198134D+00 -0.223803D+01 -0.709117D+00  0.132693D+01  0.208485D+00
               116           117           118           119           120 
      1   0.847884D+00 -0.514082D+00  0.159659D+01  0.833547D+00 -0.412345D+00
      2   0.652443D+00  0.901922D+00 -0.104333D+01 -0.827591D+00 -0.134854D+01
      3   0.119660D+01 -0.607379D+00  0.275242D+01  0.100781D+01 -0.493045D-01
               121           122           123           124           125 
      1   0.312969D+00  0.103214D+02  0.770833D+00 -0.400067D+00  0.416174D+01
      2  -0.162193D+01 -0.582965D+01 -0.560085D+01 -0.166740D+01 -0.220654D+01
      3   0.237931D+01  0.158979D+02  0.562411D+01 -0.592875D+00  0.417173D+01
               126           127           128           129           130 
      1   0.159744D+01  0.422801D+00 -0.456240D+00  0.255323D+01  0.709208D-01
      2  -0.399049D+01  0.122824D+01 -0.239908D+00  0.851261D+00 -0.635250D+00
      3   0.277623D+01 -0.109277D+02  0.371432D+01 -0.104651D+00  0.766052D+01
               131           132           133           134           135 
      1   0.145377D+00 -0.328450D+01  0.124475D+00  0.209296D+01 -0.224703D-01
      2   0.544943D+00 -0.150388D+01 -0.200524D+01  0.183917D+00 -0.240478D+00
      3  -0.560512D+01 -0.717445D+00 -0.617159D+00 -0.788892D+00 -0.251749D+00
               136           137           138           139           140 
      1  -0.431456D-01  0.100661D+00 -0.167555D+01 -0.721777D-01  0.312006D+00
      2   0.441592D-01  0.276013D+00  0.153715D+01  0.250870D+00  0.148787D+01
      3  -0.761268D+00 -0.283538D+01 -0.260200D+00 -0.127302D+01 -0.139984D+02
               141           142           143           144           145 
      1  -0.464309D+01  0.675624D+00  0.188263D+01 -0.372544D+00 -0.440065D-01
      2   0.309946D+01 -0.779495D+00 -0.300677D+00  0.378143D+00  0.485129D+00
      3  -0.144040D+01 -0.108863D+00 -0.175677D+01 -0.250562D+00 -0.846692D+00
               146           147           148           149           150 
      1   0.186224D+00 -0.731938D+00 -0.122894D-02  0.264105D-01 -0.445955D+00
      2  -0.394252D-01  0.651698D+01  0.813521D+00  0.184154D+00  0.913106D+00
      3  -0.563811D+01  0.565336D-01 -0.383688D+01 -0.172739D+01 -0.221004D+00
               151           152           153           154           155 
      1   0.548442D+00  0.580493D+00  0.665513D-02  0.532745D-01 -0.299152D+00
      2  -0.311038D+01 -0.270439D+00  0.170330D+00 -0.125136D+00  0.920267D-01
      3  -0.767439D+00 -0.403578D+00  0.102653D+00  0.151556D+01 -0.507401D+01
               156           157           158           159           160 
      1   0.239114D+01  0.147255D+00  0.118807D+00 -0.345117D+01 -0.804367D+00
      2   0.310042D+01  0.514196D+00 -0.841097D+00 -0.351552D+01 -0.989508D+00
      3  -0.144741D+00 -0.333209D+01  0.111114D+02  0.805124D+00 -0.634763D+00
               161           162           163           164           165 
      1   0.159402D+01 -0.136056D+00  0.139966D+00  0.811417D-01 -0.151615D+01
      2   0.571716D+00 -0.276596D+00 -0.823318D+00 -0.592493D+00  0.258908D+00
      3   0.117937D+01 -0.156462D+00  0.622040D+01  0.368274D+01  0.527725D+00
               166           167           168           169           170 
      1  -0.299587D-01  0.414002D+00 -0.445659D+01  0.538864D+00  0.208554D+01
      2  -0.675136D+00 -0.125009D+01  0.442716D+00 -0.178321D+01 -0.209405D+00
      3   0.735707D+01  0.892930D+01  0.125140D+01  0.126128D+01  0.109645D+01
               171           172           173           174           175 
      1  -0.345084D+00  0.631761D+00  0.121751D+01  0.506601D-01  0.795985D+00
      2   0.515554D-01  0.573619D+00 -0.215698D+00  0.956655D-01  0.418536D+00
      3  -0.238103D-01  0.116808D+01 -0.201534D+01 -0.280699D+00  0.206909D+01
               176           177           178           179           180 
      1  -0.994850D+01 -0.273636D+01  0.202112D+00 -0.102268D+01 -0.174699D+01
      2  -0.570214D+00 -0.395835D+01 -0.430472D+00 -0.147574D+01 -0.779127D+00
      3   0.200052D+02 -0.707262D-01  0.121201D+01  0.385388D+01  0.202780D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.354930D+01  0.243148D+02  0.278187D+01 -0.290121D+02  0.491056D+01
      2  -0.204832D+00 -0.158009D+02  0.150123D+00  0.286161D+02 -0.939090D+01
      3   0.375414D+01 -0.851395D+01 -0.293199D+01  0.396019D+00  0.448034D+01
      4   0.136681D+02  0.234348D+01  0.737529D+00 -0.675327D+00  0.104244D+02
      5   0.686724D+00  0.815315D+00  0.455539D+01 -0.320476D+01  0.475670D+01
      6  -0.105774D+00 -0.107498D+01 -0.729398D+01  0.389713D+01 -0.382756D+01
                 6             7             8             9            10 
      1   0.615528D+00 -0.430906D+01  0.205662D+01  0.115745D+01  0.157340D+02
      2  -0.628274D+00  0.558573D+01 -0.443023D+01 -0.791290D+01 -0.101258D+02
      3   0.127464D-01 -0.127667D+01  0.237362D+01  0.675545D+01 -0.560818D+01
      4   0.480334D+01 -0.185476D+01  0.476612D+01 -0.165037D+02 -0.333991D+01
      5  -0.140185D+02  0.205347D+02 -0.163460D+02 -0.520645D+01 -0.418042D+00
      6   0.421778D+01 -0.787912D+01  0.132303D+02 -0.137010D+00 -0.608736D-01
                11            12            13            14            15 
      1  -0.106554D+02 -0.236298D+00  0.129429D+01  0.951667D+01  0.248074D+01
      2   0.772512D+01 -0.560886D+00 -0.104070D+02 -0.161073D+02 -0.457285D+01
      3   0.293026D+01  0.797183D+00  0.911271D+01  0.659060D+01  0.209211D+01
      4  -0.166959D+02 -0.146375D+01  0.922272D+01 -0.150450D+02 -0.106041D+01
      5  -0.142460D+01 -0.415344D+01  0.112259D+01 -0.118704D+01 -0.194083D+00
      6  -0.696137D+00  0.513983D+01 -0.279669D+01 -0.583028D+01  0.596612D+01
                16            17            18            19            20 
      1   0.130066D+01  0.190404D+01 -0.153405D+02 -0.175781D+02 -0.510424D+01
      2  -0.304406D+01 -0.602458D+01  0.262568D+01  0.294559D+01  0.344368D+01
      3   0.174340D+01  0.412054D+01  0.127148D+02  0.146325D+02  0.166055D+01
      4  -0.103759D+01 -0.162388D+01 -0.668880D+01 -0.287236D+01  0.148126D+01
      5   0.642144D+01 -0.532883D+01 -0.141009D+01 -0.711615D+00 -0.871495D+00
      6   0.173725D+01  0.159622D+02  0.267025D+01 -0.238550D+01  0.240547D+00
                21            22            23            24            25 
      1  -0.103228D+01 -0.868220D+00 -0.115820D+02 -0.955602D+00 -0.402492D+00
      2  -0.982011D+00 -0.347618D+01  0.196155D+02  0.412436D+01 -0.215185D+01
      3   0.201429D+01  0.434440D+01 -0.803351D+01 -0.316876D+01  0.255434D+01
      4  -0.569459D+00 -0.114033D+02 -0.670912D+00  0.385881D+00 -0.322682D+01
      5   0.258321D+01 -0.454053D+01 -0.413124D-01 -0.222236D+01  0.849891D+01
      6   0.234090D+01 -0.206707D+01  0.300652D+01 -0.346160D+01  0.255663D+01
                26            27            28            29            30 
      1  -0.191382D+01 -0.554974D+01 -0.259594D+01  0.170672D+02  0.186101D+01
      2   0.299107D+01 -0.609128D+01  0.197254D+01 -0.118513D+02  0.106947D+01
      3  -0.107725D+01  0.116410D+02  0.623400D+00 -0.521588D+01 -0.293048D+01
      4   0.173709D+01  0.164636D+00  0.127193D+02 -0.116677D+02 -0.441602D+00
      5  -0.670713D-01 -0.123963D+01 -0.121527D+01 -0.755219D+00 -0.277472D+01
      6   0.488249D+01 -0.142386D+01  0.110864D+01 -0.517399D+00 -0.717013D+01
                31            32            33            34            35 
      1  -0.617768D+01  0.509909D+01  0.230200D+01 -0.222372D+01  0.235641D+01
      2   0.160500D+02 -0.894668D+01 -0.130232D+01  0.494757D+01 -0.361595D+01
      3  -0.987233D+01  0.384759D+01 -0.999680D+00 -0.272385D+01  0.125954D+01
      4   0.541147D+01  0.146804D+02  0.190675D+01  0.187330D+01  0.635595D+00
      5   0.350668D+00  0.199838D+01 -0.119111D+01  0.995069D+00  0.131976D+01
      6   0.484771D+01 -0.260567D+01  0.404148D+01 -0.653969D+01  0.108579D+02
                36            37            38            39            40 
      1  -0.140846D+02  0.116061D+02 -0.214059D+02 -0.162843D+01  0.201880D+02
      2   0.215238D+01 -0.119899D+02  0.139996D+02  0.245868D-01 -0.188567D+02
      3   0.119322D+02  0.383823D+00  0.740626D+01  0.160385D+01 -0.133124D+01
      4   0.285060D+01 -0.174568D+02 -0.500896D+01 -0.152343D+01  0.118107D+02
      5  -0.395915D+00 -0.492498D+00 -0.121290D+01 -0.173811D+01 -0.999521D+00
      6   0.504039D-01 -0.239704D+01 -0.323480D+00  0.461485D+01 -0.274740D+01
                41            42            43            44            45 
      1   0.119782D+02  0.187519D+01  0.217849D+01  0.579354D+00 -0.675955D+01
      2  -0.182015D+02 -0.396880D+01 -0.390633D+01 -0.512910D+01 -0.231881D+01
      3   0.622330D+01  0.209361D+01  0.172784D+01  0.454974D+01  0.907836D+01
      4  -0.504853D+01 -0.382597D+01 -0.199784D+01 -0.532354D+01  0.156172D+02
      5  -0.351085D+01  0.116368D+02  0.130419D+02  0.156694D+02  0.480522D+01
      6  -0.641821D+01  0.740656D+01  0.697586D+01  0.168528D+02  0.197725D+01
                46            47            48            49            50 
      1  -0.120193D+02 -0.467863D+01 -0.243045D+01  0.110552D+02 -0.226395D+02
      2   0.826313D+01  0.322141D+01  0.929719D+00 -0.109077D+02  0.212734D+02
      3   0.375618D+01  0.145722D+01  0.150073D+01 -0.147512D+00  0.136607D+01
      4  -0.167869D+01  0.218951D+02  0.293015D+00 -0.208270D+02 -0.195656D+01
      5  -0.306922D+01 -0.564343D-01  0.180328D+02 -0.591933D+01 -0.152938D+01
      6   0.682245D+00  0.847220D-01  0.244900D+01 -0.166648D+01  0.291029D+01
                51            52            53            54            55 
      1  -0.419602D+01 -0.141647D+01 -0.445665D+01  0.151731D+02  0.122871D+02
      2   0.540454D+01 -0.886743D+00  0.339640D+01 -0.183944D+02 -0.427679D+01
      3  -0.120852D+01  0.230321D+01  0.106025D+01  0.322130D+01 -0.801026D+01
      4  -0.160448D+01 -0.690512D+01 -0.842593D+00  0.407708D+01  0.294567D+01
      5   0.363277D+01  0.382770D+02  0.405862D+01  0.315924D+01  0.500873D+01
      6  -0.503116D+01  0.253425D+01  0.548539D+01 -0.228434D+01 -0.107338D+01
                56            57            58            59            60 
      1  -0.160789D+01  0.916055D+00  0.179110D+02  0.733112D+01  0.560312D+01
      2   0.378925D+00 -0.361431D+01 -0.166401D+02 -0.156147D+02 -0.864707D+01
      3   0.122897D+01  0.269826D+01 -0.127086D+01  0.828353D+01  0.304394D+01
      4  -0.649888D+01  0.191537D+01 -0.609501D+01 -0.258703D+02 -0.104451D+02
      5   0.125288D+01 -0.148789D+02  0.132336D+02 -0.855866D+01  0.945846D+01
      6  -0.148064D+01  0.152434D+01 -0.344956D+01 -0.451159D+01  0.828949D+00
                61            62            63            64            65 
      1  -0.752654D+01  0.242709D+01 -0.106323D+02  0.211504D+02  0.289335D+00
      2  -0.580833D+00 -0.283606D+01  0.125477D+02 -0.105607D+02 -0.166199D+01
      3   0.810737D+01  0.408970D+00 -0.191538D+01 -0.105897D+02  0.137265D+01
      4   0.671042D+01 -0.103938D+02  0.211320D+01 -0.672263D+01  0.122499D+02
      5  -0.398978D+02  0.103874D+01  0.407189D+01  0.677931D+01 -0.454422D+01
      6   0.906574D-01 -0.408491D+01  0.107498D+01 -0.401713D+01  0.451572D+01
                66            67            68            69            70 
      1  -0.795179D+01 -0.104669D+02  0.868947D+01 -0.261772D+01 -0.100634D+01
      2  -0.598644D+01  0.886863D+01 -0.123211D+02  0.475237D+00 -0.941653D+01
      3   0.139382D+02  0.159823D+01  0.363162D+01  0.214248D+01  0.104229D+02
      4  -0.344594D+01  0.155778D+02  0.228840D+02  0.868761D+01 -0.327379D+01
      5   0.262396D+02 -0.738079D+01  0.102288D+02 -0.339271D+01  0.354654D+02
      6  -0.374025D+01  0.680610D+01  0.728814D+01  0.585097D+01 -0.301678D+01
                71            72            73            74            75 
      1   0.170742D+01  0.253184D+02 -0.495112D+02 -0.130960D+02  0.139128D+02
      2  -0.330215D+01 -0.101573D+02  0.229564D+02  0.453009D+01 -0.154915D+00
      3   0.159473D+01 -0.151612D+02  0.265549D+02  0.856591D+01 -0.137579D+02
      4   0.815193D+01 -0.383817D+01 -0.168940D+02  0.582911D+01 -0.155564D+01
      5  -0.670261D+00  0.769309D+01  0.174863D+02  0.151997D+01  0.142754D+02
      6   0.655634D+01 -0.114003D+01  0.669618D+01 -0.508801D+01  0.290926D+01
                76            77            78            79            80 
      1  -0.153165D+02  0.123242D+02 -0.575090D+01  0.125607D+01 -0.803213D+01
      2   0.952254D+01 -0.213944D+01 -0.110015D+01  0.988567D+01  0.184571D+00
      3   0.579396D+01 -0.101847D+02  0.685105D+01 -0.111417D+02  0.784756D+01
      4   0.301671D+01  0.201904D+02  0.144897D+02 -0.364747D+01  0.136218D+02
      5   0.177601D+01  0.108354D+02 -0.479859D+01  0.241942D+02 -0.291930D+01
      6  -0.116799D+01 -0.961888D+01 -0.117831D+02  0.255599D+01 -0.909833D+01
                81            82            83            84            85 
      1   0.174108D+02  0.299345D+01 -0.107629D+00  0.119997D+02  0.415286D+01
      2  -0.132709D+02 -0.279075D+01  0.481828D+00  0.371074D+01 -0.190533D+01
      3  -0.413997D+01 -0.202702D+00 -0.374199D+00 -0.157104D+02 -0.224753D+01
      4  -0.462437D+01  0.312674D+00 -0.154748D+01 -0.560056D+00  0.128529D+01
      5  -0.120673D+02  0.144003D+01  0.818215D+00 -0.675535D+01  0.232459D+00
      6   0.790788D+01  0.686043D+00 -0.170386D+01  0.102473D+01 -0.193532D+00
                86            87            88            89            90 
      1  -0.355596D+01 -0.763657D+00  0.130370D+02  0.228575D+01 -0.284192D+02
      2   0.870680D+00 -0.491621D-01 -0.259303D+01 -0.802903D+00 -0.994614D+01
      3   0.268528D+01  0.812819D+00 -0.104440D+02 -0.148284D+01  0.383653D+02
      4  -0.863300D+00  0.257052D+01 -0.233800D+01  0.344587D+01 -0.315087D+00
      5   0.187436D+01  0.521387D+00  0.220021D+01 -0.221847D+01  0.227470D+02
      6  -0.477443D+00  0.580235D+01  0.799004D+00  0.516971D+01 -0.533284D+01
                91            92            93            94            95 
      1   0.149318D+01  0.338715D+01  0.111757D+01  0.913445D+00 -0.142828D+02
      2   0.276398D+01 -0.625722D-01  0.118172D+00  0.331756D+01  0.270250D+02
      3  -0.425716D+01 -0.332458D+01 -0.123574D+01 -0.423101D+01 -0.127422D+02
      4   0.738053D+01  0.100087D+02  0.169692D+01  0.105321D+02  0.300280D+02
      5   0.160024D+01  0.170458D+01  0.507154D+01  0.931973D+00  0.436363D+01
      6   0.212474D+01  0.858140D+00  0.320116D+00  0.891913D+00  0.769031D+01
                96            97            98            99           100 
      1  -0.258535D+01  0.125234D+01 -0.263083D+01 -0.320650D+01 -0.243933D+01
      2   0.374548D+01  0.280988D+00  0.271237D+01  0.192115D+01 -0.187708D+00
      3  -0.116013D+01 -0.153332D+01 -0.815354D-01  0.128535D+01  0.262703D+01
      4   0.512885D+01  0.170828D+01  0.560661D+01  0.456307D+01  0.185404D+01
      5   0.680941D+01  0.606429D+01  0.422064D+01  0.303054D+01  0.291200D+00
      6   0.587952D+01  0.131725D+01  0.817406D+01  0.356112D+01 -0.327621D+01
               101           102           103           104           105 
      1   0.657778D+01 -0.105914D+02  0.692999D+01 -0.112223D+02  0.115015D+02
      2  -0.237511D+01 -0.513638D+00 -0.370948D+01  0.502983D+01  0.451262D+00
      3  -0.420267D+01  0.111050D+02 -0.322050D+01  0.619243D+01 -0.119527D+02
      4  -0.236432D+01  0.167507D+01  0.196586D+01  0.681074D+01 -0.875331D+01
      5  -0.110006D+00 -0.349739D+01 -0.409448D+01 -0.650912D+01  0.964141D+01
      6   0.490883D+01 -0.491748D+01  0.868499D+00 -0.103350D+02  0.128771D+02
               106           107           108           109           110 
      1  -0.608741D+01  0.985936D+01 -0.214212D+02  0.791583D+02  0.886354D+01
      2   0.108685D+01  0.336241D+00 -0.626393D+01 -0.419647D+02 -0.331036D+01
      3   0.500057D+01 -0.101956D+02  0.276852D+02 -0.371936D+02 -0.555318D+01
      4   0.900790D-02 -0.831314D+01  0.809359D+01  0.156216D+02  0.127369D+02
      5   0.471847D+01  0.657885D+01 -0.156532D+02 -0.323381D+02 -0.407419D+01
      6  -0.134498D+01  0.114945D+02 -0.137589D+02 -0.512723D+01 -0.417830D+01
               111           112           113           114           115 
      1  -0.811165D+01  0.114417D+02  0.605840D+01 -0.225748D-01  0.301015D+01
      2   0.838058D+01 -0.463600D+01 -0.203376D+01  0.131912D+01  0.824778D+00
      3  -0.268931D+00 -0.680571D+01 -0.402464D+01 -0.129654D+01 -0.383493D+01
      4  -0.238781D+01  0.135501D+02  0.444265D+01 -0.314325D+01  0.422744D+00
      5   0.162880D+02 -0.576150D+01 -0.429708D+01  0.391311D+01  0.800629D+01
      6   0.166646D+01 -0.333245D+01 -0.848433D+00  0.303905D+01  0.868391D+00
               116           117           118           119           120 
      1   0.952656D+00  0.368606D+01  0.433904D+01 -0.241056D+01 -0.409241D+01
      2   0.521046D+00 -0.318118D+01 -0.132802D+01  0.169882D+01  0.343357D+00
      3  -0.147370D+01 -0.504884D+00 -0.301101D+01  0.711739D+00  0.374905D+01
      4  -0.745939D+00  0.224594D+01 -0.162961D+01  0.115289D+01  0.715045D+00
      5   0.178546D+01 -0.204688D+01 -0.223996D+01  0.171967D+01 -0.913301D+00
      6   0.194423D+01 -0.919640D+00  0.165761D+01  0.939217D+00  0.164477D+00
               121           122           123           124           125 
      1  -0.622663D+01 -0.884242D+01 -0.439410D+01 -0.203771D+01 -0.322709D+01
      2   0.386380D+01  0.802657D+01 -0.203157D+01  0.117844D+01 -0.697833D+00
      3   0.236283D+01  0.815842D+00  0.642567D+01  0.859271D+00  0.392492D+01
      4   0.641977D+01 -0.270739D+02 -0.105789D+02  0.130636D+01 -0.749718D+01
      5   0.804959D+01 -0.905373D+01 -0.122154D+02  0.217970D+01 -0.475115D+01
      6  -0.193185D+01  0.186416D+02  0.112053D+02 -0.105164D+01  0.961127D+01
               126           127           128           129           130 
      1  -0.682714D+01 -0.421004D+01  0.717033D+01  0.689905D+00  0.750602D+01
      2  -0.660490D+00  0.564190D+01 -0.103911D+02 -0.683638D+00 -0.105836D+02
      3   0.748763D+01 -0.143186D+01  0.322076D+01 -0.626658D-02  0.307759D+01
      4  -0.505797D+01 -0.849962D+01  0.831324D+01  0.532073D+00  0.862177D+01
      5  -0.613705D+01 -0.222507D+00  0.584696D+00  0.223360D+01  0.401122D+00
      6   0.528871D+01  0.419442D+00 -0.739724D+00 -0.222758D+01 -0.116104D+01
               131           132           133           134           135 
      1  -0.208321D+02 -0.204019D+01  0.826060D+00 -0.150626D+01 -0.533232D+00
      2   0.283145D+02  0.162055D+01 -0.124653D+01  0.192654D+01  0.102828D+01
      3  -0.748239D+01  0.419644D+00  0.420466D+00 -0.420278D+00 -0.495044D+00
      4  -0.877708D+01 -0.503598D+00  0.934981D+00 -0.446685D+00 -0.181382D+01
      5  -0.724457D+00 -0.172310D+01  0.878468D+00 -0.374609D+00 -0.471239D+00
      6   0.247774D+01  0.525437D+01 -0.185975D+00  0.178155D+01  0.794441D+00
               136           137           138           139           140 
      1   0.547604D+01  0.420723D+01  0.460185D+00 -0.692107D+00 -0.169150D+02
      2   0.361107D+01  0.595293D+01  0.228033D+00  0.120826D+02  0.404966D+02
      3  -0.908711D+01 -0.101602D+02 -0.688217D+00 -0.113905D+02 -0.235816D+02
      4   0.183692D+02  0.233131D+02  0.262151D+01  0.250423D+02  0.478367D+02
      5   0.229859D+01  0.255532D+01  0.402907D+01  0.288884D+01  0.499767D+01
      6   0.173004D+01  0.207518D+01  0.240429D+01  0.294739D+01  0.713624D+01
               141           142           143           144           145 
      1  -0.206650D+01  0.602695D-02 -0.172818D+01 -0.132253D+01  0.982161D+02
      2   0.315912D+01  0.127149D+01  0.415731D+01  0.220616D+01 -0.551803D+02
      3  -0.109262D+01 -0.127752D+01 -0.242912D+01 -0.883624D+00 -0.430358D+02
      4   0.525248D+01  0.316869D+01  0.600477D+01  0.211550D+01  0.155071D+02
      5   0.523885D+01  0.123603D+01  0.151580D+01  0.106101D+01  0.485437D+01
      6   0.800195D+01  0.141067D+01  0.292768D+01  0.166092D+01 -0.995931D+00
               146           147           148           149           150 
      1   0.962982D+01  0.311553D+01  0.881073D+01  0.978301D+01  0.991339D+00
      2  -0.465446D+01 -0.215507D+01 -0.376033D+01 -0.433641D+01 -0.822892D+00
      3  -0.497536D+01 -0.960466D+00 -0.505040D+01 -0.544660D+01 -0.168448D+00
      4   0.107237D+02  0.379694D+00  0.165242D+02  0.514972D+01  0.812144D+00
      5   0.374963D+00  0.107930D+02  0.204964D+01  0.796927D+00  0.137366D+01
      6   0.146491D+00  0.905928D+00  0.457342D+00 -0.159935D-01  0.176217D+01
               151           152           153           154           155 
      1   0.389321D+01  0.105978D+01  0.266449D+01  0.227274D+02 -0.135975D+02
      2  -0.216727D+01 -0.551973D+00 -0.164040D+01 -0.415079D+01 -0.137093D+01
      3  -0.172593D+01 -0.507810D+00 -0.102410D+01 -0.185766D+02  0.149685D+02
      4   0.224021D+01  0.924197D+00  0.506941D+00 -0.336687D+02  0.306944D+02
      5   0.173969D+01  0.232953D+00  0.664755D+00 -0.338003D+01  0.239794D+01
      6   0.114724D+00  0.671480D+00  0.247134D+00  0.127423D+01 -0.106762D+01
               156           157           158           159           160 
      1  -0.133479D+01 -0.981035D+01  0.336954D+01  0.342255D+00 -0.535952D+00
      2   0.510460D+00 -0.637758D+01  0.172231D+02  0.399834D+00 -0.724320D+00
      3   0.824327D+00  0.161879D+02 -0.205926D+02 -0.742089D+00  0.126027D+01
      4   0.219140D+01  0.344244D+02 -0.443399D+02 -0.371615D+01  0.330438D+01
      5   0.617757D+01  0.352489D+01 -0.398921D+01 -0.553182D+01  0.190348D+01
      6  -0.322806D+01 -0.216011D+01  0.293516D+01  0.585338D+01 -0.129563D+01
               161           162           163           164           165 
      1   0.142710D-01  0.594384D-01 -0.512996D+01 -0.918800D+01 -0.133471D+01
      2   0.157673D+01  0.868610D+00  0.666357D+01  0.114550D+02  0.988202D+00
      3  -0.159100D+01 -0.928048D+00 -0.153361D+01 -0.226696D+01  0.346505D+00
      4  -0.396846D+01 -0.202660D+01  0.356981D+01  0.722180D+01  0.690822D+00
      5  -0.171859D+01 -0.801640D+00  0.434888D+00  0.498622D+00  0.137463D+01
      6   0.200064D+01  0.931939D+00  0.118829D+01  0.196712D+01  0.207558D+01
               166           167           168           169           170 
      1  -0.712641D+01 -0.342683D+02 -0.414497D+01 -0.124662D+01 -0.444201D+01
      2   0.870583D+01  0.467808D+02  0.395838D+01  0.155351D+01  0.556363D+01
      3  -0.157942D+01 -0.125125D+02  0.186588D+00 -0.306896D+00 -0.112162D+01
      4   0.557021D+01 -0.130010D+01 -0.452888D+00  0.816506D+00  0.329655D-01
      5   0.723821D+00 -0.684461D+00  0.176209D-01  0.161642D+00  0.539269D+00
      6   0.132259D+01  0.704274D+01  0.755748D+01  0.371068D+00  0.272719D+01
               171           172           173           174           175 
      1  -0.178883D+01  0.589972D+01  0.458150D-01  0.325567D+01 -0.435705D+01
      2   0.246403D+01 -0.408164D+01 -0.125935D+01 -0.248559D+01 -0.656999D-01
      3  -0.675195D+00 -0.181809D+01  0.121353D+01 -0.770074D+00  0.442275D+01
      4   0.120037D+01  0.590178D+00  0.503669D+01  0.107302D+01  0.806083D+01
      5   0.206303D+00  0.423148D+01  0.138069D+01  0.216290D+01 -0.338429D+01
      6   0.163258D+01  0.187162D+01  0.113418D+01  0.103771D+01  0.166011D+01
               176           177           178           179           180 
      1  -0.773120D+01  0.211010D+01 -0.650760D+00  0.101835D+01 -0.232149D+01
      2   0.200583D+02  0.189692D+01 -0.580615D+00  0.230903D+01  0.128662D+01
      3  -0.123271D+02 -0.400702D+01  0.123137D+01 -0.332739D+01  0.103487D+01
      4  -0.317254D+02  0.107134D+01  0.178652D+01 -0.577174D+01 -0.267961D+01
      5   0.233451D+00 -0.695588D+01  0.141654D+01 -0.278926D+01 -0.985128D+00
      6  -0.120658D+02  0.383694D+01 -0.242011D+00  0.207057D+01 -0.227234D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:53:02 2021, MaxMem=  5637144576 cpu:           13507.6 elap:            1692.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.12392 -10.06698 -10.04500 -10.04143 -10.04083
 Alpha  occ. eigenvalues --  -10.03971 -10.03920 -10.03864 -10.02284  -0.98439
 Alpha  occ. eigenvalues --   -0.94678  -0.85713  -0.84156  -0.81414  -0.72462
 Alpha  occ. eigenvalues --   -0.70141  -0.66930  -0.61766  -0.58787  -0.55782
 Alpha  occ. eigenvalues --   -0.54897  -0.53051  -0.51638  -0.50825  -0.48925
 Alpha  occ. eigenvalues --   -0.46690  -0.45532  -0.44199  -0.43005  -0.41899
 Alpha  occ. eigenvalues --   -0.35253  -0.34828  -0.32374
 Alpha virt. eigenvalues --    0.02877   0.03687   0.03867   0.04707   0.04801
 Alpha virt. eigenvalues --    0.05029   0.05374   0.05397   0.06525   0.07206
 Alpha virt. eigenvalues --    0.07432   0.08054   0.09399   0.10958   0.12034
 Alpha virt. eigenvalues --    0.12379   0.12850   0.13214   0.13616   0.14123
 Alpha virt. eigenvalues --    0.14396   0.14512   0.14745   0.15256   0.15450
 Alpha virt. eigenvalues --    0.16248   0.16523   0.17297   0.17355   0.17989
 Alpha virt. eigenvalues --    0.18288   0.19215   0.19509   0.19972   0.20415
 Alpha virt. eigenvalues --    0.21013   0.22000   0.22332   0.22418   0.24307
 Alpha virt. eigenvalues --    0.24616   0.25165   0.25325   0.26778   0.27534
 Alpha virt. eigenvalues --    0.28401   0.28971   0.29490   0.29636   0.29887
 Alpha virt. eigenvalues --    0.30342   0.31423   0.31907   0.32073   0.32543
 Alpha virt. eigenvalues --    0.32929   0.33619   0.33850   0.34558   0.35433
 Alpha virt. eigenvalues --    0.35781   0.36572   0.37246   0.38595   0.39276
 Alpha virt. eigenvalues --    0.39543   0.39822   0.40068   0.41126   0.42681
 Alpha virt. eigenvalues --    0.43610   0.44000   0.44784   0.45326   0.46035
 Alpha virt. eigenvalues --    0.47420   0.48446   0.48639   0.49507   0.50586
 Alpha virt. eigenvalues --    0.50906   0.51622   0.51802   0.52025   0.52673
 Alpha virt. eigenvalues --    0.54051   0.54513   0.54719   0.56046   0.56998
 Alpha virt. eigenvalues --    0.57479   0.58901   0.59255   0.59648   0.60427
 Alpha virt. eigenvalues --    0.61411   0.61711   0.62400   0.62713   0.63189
 Alpha virt. eigenvalues --    0.63639   0.64138   0.65184   0.65581   0.66827
 Alpha virt. eigenvalues --    0.67124   0.68078   0.68533   0.68728   0.69408
 Alpha virt. eigenvalues --    0.70465   0.70936   0.71411   0.72491   0.72890
 Alpha virt. eigenvalues --    0.73468   0.74006   0.74943   0.75548   0.76306
 Alpha virt. eigenvalues --    0.76566   0.77497   0.78622   0.80822   0.81957
 Alpha virt. eigenvalues --    0.83008   0.83934   0.84556   0.84767   0.85153
 Alpha virt. eigenvalues --    0.85398   0.86472   0.87246   0.87770   0.88617
 Alpha virt. eigenvalues --    0.89141   0.89503   0.90652   0.91732   0.93972
 Alpha virt. eigenvalues --    0.94443   0.96368   0.97084   0.97598   1.00552
 Alpha virt. eigenvalues --    1.01478   1.02370   1.04614   1.04707   1.06980
 Alpha virt. eigenvalues --    1.07543   1.07973   1.09276   1.11977   1.13316
 Alpha virt. eigenvalues --    1.13747   1.17398   1.19371   1.21693   1.23092
 Alpha virt. eigenvalues --    1.25989   1.26979   1.31692   1.36539   1.37003
 Alpha virt. eigenvalues --    1.38076   1.38876   1.42233   1.43249   1.44373
 Alpha virt. eigenvalues --    1.44763   1.45361   1.46109   1.47830   1.49444
 Alpha virt. eigenvalues --    1.50163   1.50837   1.52238   1.53258   1.55455
 Alpha virt. eigenvalues --    1.56807   1.57207   1.57646   1.59468   1.59863
 Alpha virt. eigenvalues --    1.61633   1.64415   1.65523   1.66874   1.68701
 Alpha virt. eigenvalues --    1.69732   1.72140   1.73012   1.74055   1.75398
 Alpha virt. eigenvalues --    1.75659   1.77412   1.78757   1.79608   1.80175
 Alpha virt. eigenvalues --    1.81443   1.82679   1.85068   1.86814   1.88444
 Alpha virt. eigenvalues --    1.89261   1.90948   1.92094   1.93336   1.93716
 Alpha virt. eigenvalues --    1.95159   1.95250   1.98332   1.99573   2.01967
 Alpha virt. eigenvalues --    2.03306   2.04593   2.06451   2.06887   2.07224
 Alpha virt. eigenvalues --    2.10366   2.11818   2.13221   2.14627   2.15298
 Alpha virt. eigenvalues --    2.16858   2.17486   2.19289   2.20881   2.21491
 Alpha virt. eigenvalues --    2.23263   2.24913   2.26306   2.29600   2.31828
 Alpha virt. eigenvalues --    2.34126   2.37258   2.38638   2.39116   2.41528
 Alpha virt. eigenvalues --    2.45099   2.46096   2.47848   2.53670   2.55057
 Alpha virt. eigenvalues --    2.55299   2.57968   2.59297   2.60925   2.63393
 Alpha virt. eigenvalues --    2.65927   2.68568   2.69054   2.74740   2.76377
 Alpha virt. eigenvalues --    2.80410   2.81102   2.82622   2.87803   2.93183
 Alpha virt. eigenvalues --    2.94554   2.99571   3.05915   3.07100   3.10780
 Alpha virt. eigenvalues --    3.13253   3.15772   3.29462   3.46268   3.48471
 Alpha virt. eigenvalues --    3.61312   3.79798   4.61518
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   13.824864  -6.098117   3.675641  -5.033486   5.013029  -5.034730
     2  C   -6.098117  22.193214  -9.634548   2.580935  -5.729216   4.673474
     3  C    3.675641  -9.634548  20.108025  -8.798851   4.726666  -5.034427
     4  C   -5.033486   2.580935  -8.798851  21.409458  -6.666820   4.430692
     5  C    5.013029  -5.729216   4.726666  -6.666820  14.577946  -5.217053
     6  C   -5.034730   4.673474  -5.034427   4.430692  -5.217053  12.057746
     7  C   -0.238182  -0.071893  -3.049184  -0.492726  -1.041106   0.391465
     8  N    0.035013  -0.385741   0.557779  -0.166000   0.149006  -0.070888
     9  C    0.223192  -0.697310   0.637987  -0.687615   0.423714  -0.213567
    10  H    0.034487  -0.007755   0.069730  -0.047185   0.008913  -0.016219
    11  H   -0.137321  -0.056202   0.502539   0.048380  -0.036222   0.049231
    12  H   -0.026945   0.026878  -0.284034   0.081238  -0.018774   0.006948
    13  H    0.016463  -0.118652   0.390022  -0.038709   0.023949  -0.011393
    14  H    0.021634   0.036425  -0.018026  -0.154326   0.031503  -0.013556
    15  H    0.196016  -0.368395   0.578702  -2.385578   0.781125  -0.250300
    16  H   -0.418934   0.267354  -0.480947   1.148985  -1.652650   0.662314
    17  H    0.648095  -0.267923   0.183602  -0.228582   0.696654  -1.412666
    18  H   -1.515551   0.948358  -0.406163   0.241638  -0.390349   0.660186
    19  H    0.631801  -2.350305   0.894965  -0.185088   0.201833  -0.295877
    20  H   -0.002445   0.062542  -0.198995   0.058907  -0.037594   0.005417
               7          8          9         10         11         12
     1  C   -0.238182   0.035013   0.223192   0.034487  -0.137321  -0.026945
     2  C   -0.071893  -0.385741  -0.697310  -0.007755  -0.056202   0.026878
     3  C   -3.049184   0.557779   0.637987   0.069730   0.502539  -0.284034
     4  C   -0.492726  -0.166000  -0.687615  -0.047185   0.048380   0.081238
     5  C   -1.041106   0.149006   0.423714   0.008913  -0.036222  -0.018774
     6  C    0.391465  -0.070888  -0.213567  -0.016219   0.049231   0.006948
     7  C   13.058896  -0.937510  -0.382178  -0.082711  -1.524917   0.058645
     8  N   -0.937510   6.968016   0.143136   0.286407   0.174171   0.082880
     9  C   -0.382178   0.143136   4.740879  -0.001464   0.200798   0.150419
    10  H   -0.082711   0.286407  -0.001464   0.933901  -0.037327  -0.008229
    11  H   -1.524917   0.174171   0.200798  -0.037327   2.484576  -0.040912
    12  H    0.058645   0.082880   0.150419  -0.008229  -0.040912   1.741839
    13  H   -0.092081  -0.028163   0.107086   0.011471  -0.019479  -0.283385
    14  H   -0.053620  -0.038278   0.411737   0.003684   0.097535  -0.290263
    15  H    0.245316  -0.053437   0.058059  -0.002474  -0.006550  -0.003384
    16  H    0.041740  -0.002936  -0.003924  -0.000945   0.002928  -0.001841
    17  H   -0.016464  -0.000332  -0.000706  -0.000112   0.000499   0.000231
    18  H    0.031060  -0.000329  -0.001162   0.000337   0.004010  -0.002940
    19  H    0.155250   0.004755   0.083261   0.008706  -0.151450   0.001397
    20  H    0.076133   0.296583  -0.054243  -0.130121   0.057043   0.014499
              13         14         15         16         17         18
     1  C    0.016463   0.021634   0.196016  -0.418934   0.648095  -1.515551
     2  C   -0.118652   0.036425  -0.368395   0.267354  -0.267923   0.948358
     3  C    0.390022  -0.018026   0.578702  -0.480947   0.183602  -0.406163
     4  C   -0.038709  -0.154326  -2.385578   1.148985  -0.228582   0.241638
     5  C    0.023949   0.031503   0.781125  -1.652650   0.696654  -0.390349
     6  C   -0.011393  -0.013556  -0.250300   0.662314  -1.412666   0.660186
     7  C   -0.092081  -0.053620   0.245316   0.041740  -0.016464   0.031060
     8  N   -0.028163  -0.038278  -0.053437  -0.002936  -0.000332  -0.000329
     9  C    0.107086   0.411737   0.058059  -0.003924  -0.000706  -0.001162
    10  H    0.011471   0.003684  -0.002474  -0.000945  -0.000112   0.000337
    11  H   -0.019479   0.097535  -0.006550   0.002928   0.000499   0.004010
    12  H   -0.283385  -0.290263  -0.003384  -0.001841   0.000231  -0.002940
    13  H    1.610996  -0.374587   0.014084  -0.000009  -0.000115   0.000976
    14  H   -0.374587   1.599465  -0.065177   0.004201   0.000020  -0.000189
    15  H    0.014084  -0.065177   3.648439  -0.244180  -0.027422   0.019115
    16  H   -0.000009   0.004201  -0.244180   2.518253  -0.143952  -0.030652
    17  H   -0.000115   0.000020  -0.027422  -0.143952   2.389340  -0.141647
    18  H    0.000976  -0.000189   0.019115  -0.030652  -0.141647   2.451304
    19  H   -0.002752   0.008288  -0.054399   0.018268  -0.025163  -0.209189
    20  H   -0.031950   0.027009  -0.056985  -0.001958   0.000493  -0.000279
              19         20
     1  C    0.631801  -0.002445
     2  C   -2.350305   0.062542
     3  C    0.894965  -0.198995
     4  C   -0.185088   0.058907
     5  C    0.201833  -0.037594
     6  C   -0.295877   0.005417
     7  C    0.155250   0.076133
     8  N    0.004755   0.296583
     9  C    0.083261  -0.054243
    10  H    0.008706  -0.130121
    11  H   -0.151450   0.057043
    12  H    0.001397   0.014499
    13  H   -0.002752  -0.031950
    14  H    0.008288   0.027009
    15  H   -0.054399  -0.056985
    16  H    0.018268  -0.001958
    17  H   -0.025163   0.000493
    18  H   -0.209189  -0.000279
    19  H    3.183154  -0.000044
    20  H   -0.000044   0.943650
 Mulliken charges:
               1
     1  C    0.185477
     2  C    0.996875
     3  C    1.579517
     4  C    0.884733
     5  C    0.155447
     6  C    0.633203
     7  C   -0.075932
     8  N   -0.014132
     9  C    0.861900
    10  H   -0.023092
    11  H   -0.611332
    12  H   -0.204268
    13  H   -0.173773
    14  H   -0.233479
    15  H   -1.022575
    16  H   -0.681116
    17  H   -0.653850
    18  H   -0.658532
    19  H   -0.917410
    20  H   -0.027661
 Sum of Mulliken charges =   0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.473055
     2  C    0.079465
     3  C    1.579517
     4  C   -0.137842
     5  C   -0.525669
     6  C   -0.020647
     7  C   -0.687264
     8  N   -0.064885
     9  C    0.250380
 Electronic spatial extent (au):  <R**2>=           1293.0025
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.9811    Y=              0.3464    Z=              0.1449  Tot=              1.0505
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -58.1436   YY=            -49.8818   ZZ=            -57.6366
   XY=             -0.9228   XZ=             -1.9199   YZ=              0.2301
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -2.9230   YY=              5.3389   ZZ=             -2.4160
   XY=             -0.9228   XZ=             -1.9199   YZ=              0.2301
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             35.0923  YYY=              3.1626  ZZZ=             -7.2572  XYY=             -1.5237
  XXY=              1.5978  XXZ=             10.6475  XZZ=             -6.9660  YZZ=              0.5629
  YYZ=             -1.6660  XYZ=              2.5133
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1269.7216 YYYY=           -324.1562 ZZZZ=           -208.9615 XXXY=             -1.2784
 XXXZ=            -36.5329 YYYX=             -7.9461 YYYZ=              3.6703 ZZZX=             10.5884
 ZZZY=             -6.0634 XXYY=           -241.0205 XXZZ=           -267.8861 YYZZ=            -99.5920
 XXYZ=              0.6241 YYXZ=              5.0393 ZZXY=             -1.9879
 N-N= 4.251332285289D+02 E-N=-1.698612964688D+03  KE= 3.633460696205D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:53:03 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.60881632D-01 1.47142918D-01 2.89654388D-02
 Polarizability= 1.25905636D+02-5.33705862D-01 1.01147794D+02
                 4.22351598D-01 2.65996868D+00 7.09134516D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.5120   -0.5123       -0.1105   -0.1120
 2      0.5120    0.5123       -1.2869   -1.2869      -14.4102  -14.4093
 3      0.1105    0.1120       29.4650   29.4650        1.2874    1.2869
 4      1.2869    1.2869       -0.0000    0.0000        0.1118    0.1120
 5    -15.0547  -15.0557       -0.1118   -0.1120       -0.5116   -0.5123
 6     -1.2874   -1.2869        0.5116    0.5123        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.5369    1.5369       -0.3361   -0.3361
 2      3.8607    3.8607        0.0000    0.0000       -0.3361   -0.3361
 3      3.8607    3.8607        1.5369    1.5369       -0.0000    0.0000
 4      1.5369    1.5369       -3.8607   -3.8607      -43.2280  -43.2280
 5      0.3361    0.3361       88.3951   88.3951        3.8607    3.8607
 6    -45.1672  -45.1672       -0.3361   -0.3361       -1.5369   -1.5369
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0044    0.0000        2.0178    2.0492        0.4641    0.4481
 2     -2.0381   -2.0492        5.1717    5.1476       57.6920   57.6373
 3     -0.4333   -0.4481     -117.9064 -117.8602       -5.1279   -5.1476
 4     -5.1510   -5.1476        0.0119    0.0000       -0.4406   -0.4481
 5     60.2176   60.2229        0.4276    0.4481        2.0070    2.0492
 6      5.1414    5.1476       -2.0502   -2.0492       -0.0135    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0096    0.0000       -2.8652   -2.8447       -3.7531   -3.7247
 2      2.8329    2.8447      -53.7728  -53.7791      -18.2535  -18.2434
 3      3.6917    3.7247      -14.4224  -14.3813       53.7849   53.7791
 4     53.7482   53.7791        0.0121    0.0000        3.6854    3.7247
 5     32.5860   32.6247       -3.7892   -3.7247       -2.8591   -2.8447
 6    -53.7454  -53.7791        2.8359    2.8447        0.0766    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     44.2260   44.1960       -2.7556   -2.7816        2.5405    2.5249
 2    121.1077  121.1217       -1.3275   -1.3339        2.5245    2.5249
 3    121.0923  121.1217       -2.7755   -2.7816        4.3703    4.3658
 4     -1.4581   -1.4477      -76.9169  -76.9257      -22.7412  -22.7474
 5      1.8444    1.8409      -21.9680  -21.9661       76.8927   76.9257
 6     44.6543   44.7136       -1.8668   -1.8409        1.3333    1.4477
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4011   -3.6436   -0.0004    0.0004    0.0006    4.6940
 Low frequencies ---   24.7633  128.1845  212.2268
 Diagonal vibrational polarizability:
       15.5144911       8.8457676      21.4622711
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.7532               128.1837               212.2268
 Red. masses --      3.0053                 3.3459                 2.2565
 Frc consts  --      0.0011                 0.0324                 0.0599
 IR Inten    --      0.2393                 0.0500                 0.6238
 RamAct Fr= 1--      3.9476                 3.9738                 0.4377
  Dep-P Fr= 1--      0.7463                 0.7458                 0.2794
  Dep-U Fr= 1--      0.8547                 0.8544                 0.4368
 Alpha2 Fr= 1--      0.0003                 0.0003                 0.0048
 Beta2  Fr= 1--      0.5623                 0.5659                 0.0319
 AlphaG Fr= 1--      0.0009                 0.0004                -0.0006
 Gamma2 Fr= 1--     -0.5371                -0.0343                -0.0594
 Delta2 Fr= 1--     -0.5328                -0.1336                -0.0363
 Raman1 Fr= 1--      15.790                 15.895                  1.751
 ROA1   Fr= 1--     -68.609                 -7.565                 -6.862
 CID1   Fr= 1--      -4.345                 -0.476                 -3.920
 Raman2 Fr= 1--       6.748                  6.790                  0.382
 ROA2   Fr= 1--      -8.627                  0.246                 -1.135
 CID2   Fr= 1--      -1.279                  0.036                 -2.969
 Raman3 Fr= 1--      13.496                 13.581                  0.765
 ROA3   Fr= 1--     -68.609                 -7.565                 -6.862
 CID3   Fr= 1--      -5.084                 -0.557                 -8.973
 RC180  Fr= 1--       0.709                  0.709                 -0.126
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.16    -0.01  -0.01   0.04     0.04   0.03   0.00
     2   6     0.01   0.01  -0.10    -0.00   0.02  -0.15     0.05  -0.09  -0.01
     3   6    -0.00  -0.02   0.06    -0.00   0.02  -0.17    -0.01  -0.13  -0.02
     4   6    -0.01  -0.03   0.17    -0.00   0.01  -0.10    -0.10  -0.10  -0.02
     5   6    -0.01  -0.01   0.12    -0.01  -0.01   0.10    -0.13   0.01  -0.00
     6   6     0.00   0.01  -0.05    -0.01  -0.03   0.20    -0.05   0.06   0.01
     7   6    -0.00  -0.02   0.07    -0.00   0.00  -0.04    -0.01  -0.03  -0.01
     8   7     0.05  -0.16  -0.09    -0.17  -0.08   0.02     0.09   0.09   0.01
     9   6    -0.05   0.20   0.00     0.21   0.09   0.05     0.08   0.10   0.02
    10   1     0.06  -0.36  -0.07    -0.34  -0.17  -0.06     0.15   0.14   0.04
    11   1    -0.00  -0.05   0.22    -0.02  -0.02   0.06    -0.16  -0.01  -0.00
    12   1    -0.08   0.33   0.12     0.37   0.18   0.03    -0.17  -0.16  -0.04
    13   1    -0.05   0.19  -0.00     0.21   0.03   0.26    -0.01   0.54   0.01
    14   1    -0.07   0.25  -0.15     0.21   0.12  -0.06     0.51   0.02   0.11
    15   1    -0.02  -0.04   0.31    -0.00   0.01  -0.13    -0.16  -0.15  -0.03
    16   1    -0.02  -0.02   0.21    -0.01  -0.03   0.20    -0.20   0.04   0.00
    17   1     0.00   0.02  -0.09    -0.02  -0.05   0.39    -0.07   0.14   0.03
    18   1     0.02   0.04  -0.29    -0.01  -0.01   0.09     0.11   0.08   0.02
    19   1     0.01   0.02  -0.19    -0.00   0.02  -0.22     0.12  -0.12  -0.01
    20   1     0.12  -0.12  -0.27    -0.11  -0.05  -0.07     0.15   0.07   0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    249.2262               265.1189               315.4935
 Red. masses --      1.1827                 1.1420                 2.9878
 Frc consts  --      0.0433                 0.0473                 0.1752
 IR Inten    --     25.7132                12.8287                 1.9843
 RamAct Fr= 1--      0.4014                 0.2300                 1.4252
  Dep-P Fr= 1--      0.4379                 0.6920                 0.2570
  Dep-U Fr= 1--      0.6090                 0.8180                 0.4089
 Alpha2 Fr= 1--      0.0026                 0.0002                 0.0166
 Beta2  Fr= 1--      0.0407                 0.0314                 0.0971
 AlphaG Fr= 1--     -0.0013                 0.0016                -0.0073
 Gamma2 Fr= 1--     -0.2386                 0.1240                -0.9027
 Delta2 Fr= 1--      0.2458                 0.1898                -0.2775
 Raman1 Fr= 1--       1.606                  0.920                  5.701
 ROA1   Fr= 1--     -15.037                 17.983                -95.539
 CID1   Fr= 1--      -9.364                 19.545                -16.759
 Raman2 Fr= 1--       0.489                  0.376                  1.166
 ROA2   Fr= 1--      -7.692                  1.459                -19.445
 CID2   Fr= 1--     -15.730                  3.877                -16.683
 Raman3 Fr= 1--       0.978                  0.753                  2.331
 ROA3   Fr= 1--     -15.037                 17.983                -95.539
 CID3   Fr= 1--     -15.375                 23.895                -40.984
 RC180  Fr= 1--       0.218                  0.636                 -0.182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02  -0.00  -0.01    -0.09  -0.03   0.03
     2   6     0.00  -0.02   0.02     0.02  -0.03  -0.01    -0.09   0.01   0.13
     3   6    -0.01  -0.03  -0.00     0.00  -0.04  -0.01    -0.03   0.05   0.02
     4   6    -0.03  -0.03   0.01    -0.02  -0.03  -0.01    -0.04   0.04   0.14
     5   6    -0.03   0.00  -0.01    -0.03  -0.01   0.00    -0.04   0.00   0.04
     6   6    -0.02   0.02  -0.02    -0.01   0.01   0.01    -0.08  -0.01  -0.13
     7   6    -0.01   0.01  -0.01     0.01  -0.02  -0.00     0.03   0.01  -0.09
     8   7     0.03   0.08   0.01     0.03   0.03   0.02     0.04  -0.03  -0.13
     9   6     0.02  -0.02   0.01    -0.01   0.05  -0.02     0.24  -0.03  -0.00
    10   1    -0.28  -0.38  -0.11     0.24   0.38   0.10     0.21   0.15  -0.05
    11   1    -0.06   0.03  -0.06    -0.02  -0.02   0.02     0.06   0.01  -0.08
    12   1     0.26   0.19   0.04     0.25   0.39   0.11     0.46  -0.03  -0.14
    13   1     0.08  -0.31   0.12     0.07  -0.33   0.10     0.24  -0.07   0.27
    14   1    -0.24   0.04  -0.12    -0.36   0.17  -0.28     0.30  -0.04   0.01
    15   1    -0.04  -0.04   0.03    -0.05  -0.05  -0.04    -0.04   0.03   0.22
    16   1    -0.05   0.01  -0.01    -0.05   0.00   0.00     0.01  -0.02   0.06
    17   1    -0.02   0.03  -0.03    -0.01   0.03   0.02    -0.07  -0.02  -0.30
    18   1     0.02   0.02   0.02     0.04   0.02  -0.01    -0.11  -0.04   0.04
    19   1     0.02  -0.03   0.03     0.04  -0.04  -0.02    -0.15   0.02   0.20
    20   1     0.60   0.15  -0.25    -0.31  -0.04   0.27    -0.23  -0.05  -0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    337.8994               412.9074               488.7767
 Red. masses --      3.4873                 2.9362                 3.0072
 Frc consts  --      0.2346                 0.2949                 0.4233
 IR Inten    --      3.2831                 0.2793                 3.0794
 RamAct Fr= 1--      1.4161                 0.0258                 3.9155
  Dep-P Fr= 1--      0.2766                 0.4522                 0.0578
  Dep-U Fr= 1--      0.4333                 0.6227                 0.1092
 Alpha2 Fr= 1--      0.0156                 0.0002                 0.0759
 Beta2  Fr= 1--      0.1023                 0.0027                 0.0713
 AlphaG Fr= 1--      0.0068                -0.0029                -0.0149
 Gamma2 Fr= 1--      0.9967                -0.2358                -0.2249
 Delta2 Fr= 1--      0.2165                -0.0249                -0.1973
 Raman1 Fr= 1--       5.664                  0.103                 15.662
 ROA1   Fr= 1--     102.616                -23.434                -27.902
 CID1   Fr= 1--      18.116               -227.285                 -1.781
 Raman2 Fr= 1--       1.227                  0.032                  0.855
 ROA2   Fr= 1--      22.190                 -5.460                 -3.818
 CID2   Fr= 1--      18.082               -170.090                 -4.465
 Raman3 Fr= 1--       2.454                  0.064                  1.710
 ROA3   Fr= 1--     102.616                -23.434                -27.902
 CID3   Fr= 1--      41.810               -364.977                -16.314
 RC180  Fr= 1--      -0.133                  0.245                 -0.782
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.05     0.01   0.02  -0.20    -0.08  -0.05   0.00
     2   6    -0.10   0.04  -0.12    -0.01  -0.02   0.21    -0.05   0.01   0.00
     3   6    -0.03   0.06   0.03    -0.00   0.00  -0.00     0.05   0.06  -0.02
     4   6    -0.04   0.09  -0.13     0.01   0.02  -0.21    -0.03   0.10   0.01
     5   6    -0.04   0.02  -0.05    -0.00  -0.03   0.21    -0.04   0.03   0.02
     6   6    -0.10  -0.04   0.12     0.00   0.00  -0.00    -0.11  -0.03  -0.03
     7   6     0.04  -0.00   0.12    -0.00   0.00  -0.00     0.17  -0.12  -0.02
     8   7     0.26  -0.04  -0.05     0.00   0.00  -0.00     0.05  -0.03   0.21
     9   6     0.02  -0.07   0.12    -0.00  -0.00   0.00     0.04   0.03  -0.18
    10   1     0.55  -0.06   0.10    -0.02  -0.03  -0.01    -0.26  -0.02   0.05
    11   1     0.07  -0.01   0.14    -0.01   0.00  -0.00     0.24  -0.12  -0.06
    12   1     0.08  -0.10   0.07    -0.00  -0.01  -0.00    -0.21   0.16   0.07
    13   1     0.03  -0.17   0.13    -0.00  -0.00   0.00     0.02   0.18  -0.41
    14   1    -0.06  -0.09   0.20     0.01  -0.01   0.01     0.09   0.09  -0.40
    15   1    -0.03   0.10  -0.22     0.02   0.05  -0.45    -0.05   0.08   0.03
    16   1     0.02   0.00  -0.08    -0.01  -0.05   0.44     0.05  -0.01   0.04
    17   1    -0.10  -0.10   0.29     0.00   0.00  -0.02    -0.11  -0.05  -0.05
    18   1    -0.12  -0.02  -0.08     0.01   0.05  -0.46    -0.07  -0.04   0.03
    19   1    -0.16   0.08  -0.20    -0.01  -0.05   0.45    -0.16   0.05   0.03
    20   1     0.22  -0.03  -0.08     0.01   0.01  -0.02     0.27  -0.06   0.30
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.0679               598.3501               638.6372
 Red. masses --      2.8614                 3.0079                 6.3589
 Frc consts  --      0.5120                 0.6345                 1.5281
 IR Inten    --     20.9867                 8.0942                 0.0177
 RamAct Fr= 1--      0.3008                 1.5948                 4.2524
  Dep-P Fr= 1--      0.5474                 0.7437                 0.7297
  Dep-U Fr= 1--      0.7075                 0.8530                 0.8437
 Alpha2 Fr= 1--      0.0012                 0.0002                 0.0015
 Beta2  Fr= 1--      0.0355                 0.2267                 0.5980
 AlphaG Fr= 1--      0.0026                -0.0008                -0.0026
 Gamma2 Fr= 1--      0.0372                 0.4814                -0.0213
 Delta2 Fr= 1--     -0.0132                 0.2280                -0.0130
 Raman1 Fr= 1--       1.203                  6.379                 17.010
 ROA1   Fr= 1--       3.146                 53.515                 -2.459
 CID1   Fr= 1--       2.614                  8.389                 -0.145
 Raman2 Fr= 1--       0.426                  2.721                  7.176
 ROA2   Fr= 1--       0.997                  9.731                 -0.407
 CID2   Fr= 1--       2.343                  3.576                 -0.057
 Raman3 Fr= 1--       0.851                  5.442                 14.352
 ROA3   Fr= 1--       3.146                 53.515                 -2.459
 CID3   Fr= 1--       3.695                  9.834                 -0.171
 RC180  Fr= 1--       0.415                  0.706                  0.687
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.13     0.01  -0.09  -0.02     0.29  -0.21  -0.02
     2   6    -0.00   0.01   0.06     0.04  -0.17  -0.01     0.21   0.22   0.03
     3   6    -0.01  -0.03   0.26     0.16  -0.03   0.03    -0.00   0.13   0.02
     4   6    -0.00  -0.00   0.06    -0.01   0.01   0.01    -0.27   0.17   0.01
     5   6     0.01   0.01  -0.13    -0.06   0.08  -0.01    -0.22  -0.26  -0.04
     6   6     0.00  -0.02   0.19    -0.16   0.00   0.02     0.00  -0.14  -0.02
     7   6    -0.01  -0.03  -0.06     0.16   0.23   0.04     0.01   0.04   0.01
     8   7    -0.06   0.02  -0.01    -0.04  -0.01  -0.02    -0.01   0.02  -0.02
     9   6     0.07   0.00  -0.08    -0.00   0.01   0.01    -0.01   0.01   0.03
    10   1    -0.19   0.02  -0.08    -0.22  -0.09  -0.10    -0.02   0.00  -0.02
    11   1     0.03  -0.01  -0.14     0.14   0.21   0.10     0.04   0.03   0.01
    12   1     0.15   0.05  -0.09    -0.08  -0.15  -0.07    -0.00  -0.02   0.00
    13   1     0.05   0.06   0.08     0.05  -0.17  -0.28    -0.00  -0.01   0.01
    14   1     0.18   0.02  -0.18    -0.25  -0.06   0.32    -0.03  -0.00   0.08
    15   1     0.02   0.04  -0.26    -0.18  -0.12  -0.05    -0.15   0.26   0.03
    16   1     0.02   0.05  -0.49     0.01   0.06  -0.05    -0.06  -0.33  -0.03
    17   1     0.00  -0.03   0.20    -0.16   0.02   0.00    -0.06   0.29   0.04
    18   1     0.00   0.05  -0.49     0.17   0.04  -0.06     0.18  -0.30  -0.02
    19   1     0.01   0.04  -0.24    -0.04  -0.13  -0.04     0.05   0.28   0.04
    20   1    -0.05   0.01   0.01    -0.41   0.04  -0.24    -0.04   0.03  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.2166               764.0481               778.7930
 Red. masses --      1.6891                 3.4832                 1.9567
 Frc consts  --      0.5048                 1.1980                 0.6992
 IR Inten    --     50.6057                25.9129                20.2511
 RamAct Fr= 1--      0.0190                10.2885                 1.1561
  Dep-P Fr= 1--      0.4341                 0.0169                 0.4764
  Dep-U Fr= 1--      0.6054                 0.0332                 0.6454
 Alpha2 Fr= 1--      0.0001                 0.2198                 0.0063
 Beta2  Fr= 1--      0.0019                 0.0569                 0.1243
 AlphaG Fr= 1--     -0.0001                -0.0256                -0.0101
 Gamma2 Fr= 1--     -0.0076                 0.3670                 0.0541
 Delta2 Fr= 1--      0.0038                -0.0676                 0.0242
 Raman1 Fr= 1--       0.076                 41.154                  4.624
 ROA1   Fr= 1--      -0.606                 33.065                  5.964
 CID1   Fr= 1--      -7.968                  0.803                  1.290
 Raman2 Fr= 1--       0.023                  0.683                  1.492
 ROA2   Fr= 1--      -0.212                  9.348                  1.104
 CID2   Fr= 1--      -9.216                 13.680                  0.740
 Raman3 Fr= 1--       0.046                  1.367                  2.984
 ROA3   Fr= 1--      -0.606                 33.065                  5.964
 CID3   Fr= 1--     -13.163                 24.194                  1.998
 RC180  Fr= 1--       0.211                 -0.934                  0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.14     0.08  -0.15  -0.01    -0.01   0.01   0.01
     2   6    -0.00  -0.01   0.07     0.08  -0.12  -0.03    -0.00   0.02  -0.08
     3   6     0.00   0.01  -0.09     0.10   0.01   0.05    -0.01  -0.03   0.22
     4   6    -0.00  -0.01   0.06     0.04   0.18  -0.01    -0.00  -0.01  -0.09
     5   6     0.00   0.02  -0.14     0.07   0.18   0.03    -0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.07    -0.16  -0.02  -0.03     0.02   0.02  -0.13
     7   6     0.00  -0.00   0.00    -0.12  -0.15  -0.03     0.00   0.02   0.00
     8   7    -0.00  -0.00  -0.00    -0.08   0.04  -0.08     0.01   0.00   0.01
     9   6     0.00   0.00   0.00    -0.07  -0.02   0.08     0.02  -0.01  -0.05
    10   1     0.05   0.03   0.02     0.21   0.15   0.05    -0.14  -0.04  -0.06
    11   1    -0.01  -0.00   0.02    -0.08  -0.12  -0.14     0.03   0.03  -0.04
    12   1    -0.02  -0.01   0.00     0.04   0.12   0.13     0.09  -0.01  -0.09
    13   1     0.00  -0.01  -0.03    -0.12   0.16   0.41     0.02   0.00   0.03
    14   1    -0.03  -0.00   0.02     0.18   0.03  -0.18     0.07  -0.01  -0.05
    15   1    -0.02  -0.06   0.51    -0.03   0.12   0.03    -0.00  -0.02   0.00
    16   1    -0.01  -0.03   0.22     0.30   0.08   0.12    -0.05  -0.06   0.50
    17   1    -0.02  -0.07   0.56    -0.15  -0.06   0.09    -0.00  -0.06   0.56
    18   1    -0.01  -0.03   0.21     0.25  -0.02   0.11    -0.03  -0.06   0.52
    19   1    -0.02  -0.06   0.50    -0.04  -0.08  -0.00     0.00   0.00   0.01
    20   1     0.04  -0.00   0.02     0.33   0.01   0.10    -0.15   0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    852.3730               871.8380               916.5275
 Red. masses --      1.2717                 1.6578                 1.7408
 Frc consts  --      0.5444                 0.7424                 0.8616
 IR Inten    --     11.7229               181.8486                 1.1431
 RamAct Fr= 1--      1.8785                 4.7873                 3.5098
  Dep-P Fr= 1--      0.5473                 0.0898                 0.5476
  Dep-U Fr= 1--      0.7074                 0.1648                 0.7077
 Alpha2 Fr= 1--      0.0073                 0.0859                 0.0136
 Beta2  Fr= 1--      0.2215                 0.1315                 0.4140
 AlphaG Fr= 1--     -0.0004                 0.0746                 0.0035
 Gamma2 Fr= 1--     -0.0870                -0.3802                 0.9006
 Delta2 Fr= 1--      0.1444                 0.0083                -0.4794
 Raman1 Fr= 1--       7.514                 19.149                 14.039
 ROA1   Fr= 1--      -3.733                -36.229                 71.112
 CID1   Fr= 1--      -0.497                 -1.892                  5.065
 Raman2 Fr= 1--       2.658                  1.578                  4.968
 ROA2   Fr= 1--      -3.244                 -9.191                 25.449
 CID2   Fr= 1--      -1.220                 -5.825                  5.123
 Raman3 Fr= 1--       5.316                  3.156                  9.935
 ROA3   Fr= 1--      -3.733                -36.229                 71.112
 CID3   Fr= 1--      -0.702                -11.480                  7.158
 RC180  Fr= 1--       0.415                 -0.670                  0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.07     0.02  -0.02   0.02    -0.03   0.03  -0.00
     2   6    -0.00  -0.01   0.07     0.00  -0.01   0.02    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.02    -0.00   0.00  -0.04     0.02   0.01  -0.05
     4   6     0.00   0.00  -0.09     0.00   0.03  -0.00    -0.01  -0.03   0.07
     5   6    -0.00   0.00  -0.06     0.02   0.04  -0.03    -0.01  -0.03  -0.02
     6   6     0.00   0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.07
     7   6     0.01   0.01   0.01    -0.07  -0.01  -0.07     0.10  -0.06  -0.04
     8   7    -0.04  -0.00  -0.01     0.17  -0.01   0.07    -0.01   0.04  -0.06
     9   6     0.01   0.00  -0.01    -0.06   0.00   0.02    -0.02  -0.02   0.14
    10   1     0.12   0.04   0.06    -0.55  -0.16  -0.25    -0.16   0.07  -0.14
    11   1     0.02  -0.00   0.04    -0.09  -0.01  -0.09     0.14  -0.03  -0.15
    12   1    -0.01  -0.01  -0.00     0.11   0.01  -0.07    -0.23   0.14   0.39
    13   1     0.02  -0.01  -0.06    -0.09   0.06   0.30    -0.04   0.10  -0.03
    14   1    -0.03   0.00   0.01     0.10  -0.01  -0.01    -0.02   0.05  -0.10
    15   1    -0.01  -0.06   0.52    -0.02  -0.00   0.14     0.00   0.02  -0.39
    16   1    -0.03  -0.06   0.44     0.06  -0.00   0.16    -0.04  -0.03   0.07
    17   1     0.00   0.01  -0.01    -0.01  -0.01  -0.05    -0.00  -0.07   0.46
    18   1     0.01   0.06  -0.46     0.04   0.01  -0.16    -0.07   0.01  -0.01
    19   1     0.02   0.06  -0.49    -0.00   0.01  -0.10     0.01   0.07  -0.43
    20   1     0.13  -0.00   0.02    -0.56  -0.01  -0.06    -0.08   0.03  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.3685               957.6200               973.8325
 Red. masses --      1.6496                 1.3590                 1.2313
 Frc consts  --      0.8359                 0.7343                 0.6880
 IR Inten    --      1.5719                 0.4671                 0.1439
 RamAct Fr= 1--      2.2073                 0.0983                 0.0075
  Dep-P Fr= 1--      0.6428                 0.7439                 0.7379
  Dep-U Fr= 1--      0.7825                 0.8532                 0.8492
 Alpha2 Fr= 1--      0.0043                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2879                 0.0140                 0.0011
 AlphaG Fr= 1--     -0.0073                -0.0011                 0.0005
 Gamma2 Fr= 1--     -1.6694                 0.1418                 0.1265
 Delta2 Fr= 1--      0.0523                -0.0693                -0.0555
 Raman1 Fr= 1--       8.829                  0.393                  0.030
 ROA1   Fr= 1--    -158.591                 11.393                 10.372
 CID1   Fr= 1--     -17.962                 28.988                345.303
 Raman2 Fr= 1--       3.455                  0.168                  0.013
 ROA2   Fr= 1--     -40.484                  3.957                  3.481
 CID2   Fr= 1--     -11.719                 23.601                272.973
 Raman3 Fr= 1--       6.909                  0.335                  0.026
 ROA3   Fr= 1--    -158.591                 11.393                 10.372
 CID3   Fr= 1--     -22.953                 33.976                406.619
 RC180  Fr= 1--       0.565                  0.706                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.01     0.00  -0.01   0.08     0.00   0.01  -0.08
     2   6     0.00  -0.03   0.08     0.00   0.01  -0.08    -0.00  -0.00   0.04
     3   6    -0.03   0.00  -0.07    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.01   0.08    -0.00  -0.01   0.09    -0.00  -0.00   0.03
     5   6     0.02   0.03   0.00     0.00   0.01  -0.10     0.00   0.01  -0.07
     6   6    -0.01   0.01  -0.07    -0.00  -0.00   0.00    -0.00  -0.01   0.08
     7   6    -0.09   0.04   0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     8   7     0.02  -0.05   0.07    -0.01   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.04  -0.09     0.01  -0.00  -0.01     0.00   0.00  -0.00
    10   1     0.18  -0.06   0.15     0.05  -0.01   0.03     0.02  -0.00   0.01
    11   1    -0.18   0.00   0.20    -0.01   0.01  -0.00    -0.01  -0.00   0.01
    12   1     0.17  -0.15  -0.35    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   1     0.04  -0.13  -0.02     0.01  -0.01  -0.02     0.00  -0.01  -0.01
    14   1    -0.05  -0.04   0.19     0.01  -0.00  -0.02    -0.01  -0.00   0.01
    15   1     0.03   0.08  -0.38     0.02   0.05  -0.49     0.01   0.03  -0.24
    16   1     0.05   0.02  -0.03    -0.02  -0.06   0.56    -0.02  -0.05   0.47
    17   1    -0.02  -0.04   0.45    -0.00   0.01  -0.03     0.02   0.06  -0.53
    18   1     0.06  -0.01  -0.01     0.02   0.05  -0.46    -0.02  -0.07   0.55
    19   1     0.02   0.03  -0.43    -0.02  -0.05   0.43     0.01   0.04  -0.33
    20   1     0.15  -0.05   0.08     0.03   0.01  -0.01     0.03  -0.00   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1010.5476              1023.9451              1041.0364
 Red. masses --      1.4134                 4.7221                 1.9037
 Frc consts  --      0.8504                 2.9170                 1.2156
 IR Inten    --      2.6104                 1.7153                30.6733
 RamAct Fr= 1--      3.7341                59.6143                 7.8115
  Dep-P Fr= 1--      0.5437                 0.0482                 0.1196
  Dep-U Fr= 1--      0.7044                 0.0919                 0.2137
 Alpha2 Fr= 1--      0.0148                 1.1828                 0.1303
 Beta2  Fr= 1--      0.4384                 0.9129                 0.2782
 AlphaG Fr= 1--     -0.0236                -0.0422                -0.0628
 Gamma2 Fr= 1--      1.0459                 0.7407                 0.8116
 Delta2 Fr= 1--     -0.1080                 0.2030                 1.2116
 Raman1 Fr= 1--      14.936                238.457                 31.246
 ROA1   Fr= 1--      96.954                 77.605                116.689
 CID1   Fr= 1--       6.491                  0.325                  3.735
 Raman2 Fr= 1--       5.261                 10.955                  3.339
 ROA2   Fr= 1--      25.967                 16.153                  9.787
 CID2   Fr= 1--       4.936                  1.475                  2.931
 Raman3 Fr= 1--      10.521                 21.910                  6.677
 ROA3   Fr= 1--      96.954                 77.605                116.689
 CID3   Fr= 1--       9.215                  3.542                 17.475
 RC180  Fr= 1--       0.409                 -0.816                 -0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.01   0.03   0.00    -0.04   0.07   0.01
     2   6     0.01   0.03  -0.01    -0.12  -0.29  -0.04    -0.02  -0.10  -0.01
     3   6     0.02  -0.01   0.03    -0.02  -0.03   0.02     0.07   0.05  -0.01
     4   6     0.01  -0.01  -0.01    -0.20   0.29   0.02    -0.00   0.02   0.01
     5   6    -0.00  -0.02  -0.00    -0.00  -0.01  -0.00    -0.04  -0.13  -0.02
     6   6    -0.03  -0.01   0.00     0.31   0.03   0.01     0.02   0.03   0.00
     7   6     0.06  -0.06  -0.09     0.01  -0.06   0.00     0.05   0.09  -0.05
     8   7     0.00  -0.02  -0.03     0.01   0.03  -0.03    -0.02  -0.06   0.05
     9   6    -0.05   0.10   0.05     0.05   0.03   0.02    -0.12  -0.01  -0.01
    10   1    -0.29   0.29  -0.21    -0.17   0.06  -0.12     0.19   0.01   0.13
    11   1     0.03  -0.14   0.24    -0.20  -0.07   0.17     0.33   0.10  -0.25
    12   1     0.10  -0.18  -0.25    -0.11  -0.07   0.04     0.24   0.08  -0.14
    13   1     0.01  -0.17   0.10     0.09  -0.11  -0.28    -0.18   0.15   0.56
    14   1    -0.17  -0.02   0.49    -0.17   0.01   0.15     0.26  -0.03  -0.09
    15   1     0.02  -0.01  -0.00    -0.15   0.34   0.03     0.10   0.10  -0.01
    16   1     0.01  -0.03   0.02     0.06  -0.02   0.01    -0.05  -0.13  -0.02
    17   1    -0.02  -0.04  -0.03     0.33  -0.02  -0.00     0.00   0.14   0.02
    18   1    -0.04   0.02  -0.01    -0.01   0.02   0.00     0.08   0.17   0.02
    19   1     0.03   0.02   0.08    -0.06  -0.33  -0.01     0.00  -0.11  -0.02
    20   1     0.28  -0.12   0.37    -0.05   0.00   0.04     0.21  -0.05   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1056.8309              1106.9925              1139.3551
 Red. masses --      1.9794                 1.5828                 2.4610
 Frc consts  --      1.3025                 1.1428                 1.8822
 IR Inten    --      0.3809                 8.7004                 7.4261
 RamAct Fr= 1--     15.1994                 1.4794                 4.6386
  Dep-P Fr= 1--      0.0401                 0.0835                 0.7118
  Dep-U Fr= 1--      0.0771                 0.1541                 0.8316
 Alpha2 Fr= 1--      0.3074                 0.0270                 0.0031
 Beta2  Fr= 1--      0.1952                 0.0380                 0.6429
 AlphaG Fr= 1--      0.0311                 0.0126                 0.0234
 Gamma2 Fr= 1--     -0.6594                 0.2145                -2.2215
 Delta2 Fr= 1--     -0.3909                 0.1416                -0.4285
 Raman1 Fr= 1--      60.798                  5.917                 18.554
 ROA1   Fr= 1--     -75.815                 25.123               -226.978
 CID1   Fr= 1--      -1.247                  4.246                -12.233
 Raman2 Fr= 1--       2.342                  0.456                  7.715
 ROA2   Fr= 1--     -12.699                  4.014                -49.888
 CID2   Fr= 1--      -5.421                  8.805                 -6.466
 Raman3 Fr= 1--       4.685                  0.912                 15.430
 ROA3   Fr= 1--     -75.815                 25.123               -226.978
 CID3   Fr= 1--     -16.183                 27.552                -14.710
 RC180  Fr= 1--      -0.846                 -0.692                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.16   0.02     0.08  -0.05  -0.00    -0.01   0.00   0.00
     2   6     0.07  -0.03   0.00    -0.10  -0.05  -0.01    -0.02  -0.00   0.01
     3   6    -0.01  -0.02  -0.00    -0.06   0.04   0.01     0.07   0.02  -0.05
     4   6     0.03   0.07   0.01     0.11  -0.02  -0.00     0.03  -0.01   0.01
     5   6     0.02  -0.14  -0.02    -0.03  -0.05  -0.01    -0.03  -0.02  -0.00
     6   6    -0.14  -0.03  -0.01    -0.03   0.08   0.01     0.01   0.01  -0.00
     7   6    -0.04  -0.03   0.04    -0.02  -0.01  -0.02     0.05  -0.10   0.26
     8   7     0.01   0.03  -0.01     0.02  -0.00  -0.01    -0.02   0.10  -0.10
     9   6     0.05  -0.00  -0.01     0.03   0.00   0.02    -0.05  -0.03  -0.12
    10   1    -0.05  -0.05  -0.03    -0.09   0.04  -0.07    -0.28   0.09  -0.22
    11   1    -0.19  -0.03   0.10    -0.01  -0.03   0.04     0.07  -0.16   0.51
    12   1    -0.08  -0.02   0.04    -0.09  -0.01   0.08     0.27  -0.01  -0.28
    13   1     0.06  -0.05  -0.20     0.05  -0.03  -0.16    -0.07   0.00   0.29
    14   1    -0.07   0.01  -0.02    -0.08   0.02   0.01     0.28  -0.07  -0.14
    15   1     0.27   0.26   0.04     0.45   0.24   0.05     0.03  -0.01  -0.04
    16   1     0.39  -0.30  -0.02    -0.19   0.01  -0.00    -0.14   0.02  -0.01
    17   1    -0.15  -0.08  -0.02    -0.10   0.53   0.06     0.00   0.09   0.02
    18   1     0.21   0.36   0.05     0.31   0.11   0.03    -0.04  -0.02  -0.01
    19   1     0.40  -0.15  -0.01    -0.41   0.06   0.01    -0.17   0.07  -0.06
    20   1    -0.15   0.04  -0.08     0.01  -0.03   0.08    -0.14   0.09  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.4601              1205.1907              1213.7678
 Red. masses --      1.1162                 1.1708                 2.1272
 Frc consts  --      0.9226                 1.0020                 1.8464
 IR Inten    --      0.1795                 0.0201                 3.6702
 RamAct Fr= 1--      4.1243                 7.0749                16.3730
  Dep-P Fr= 1--      0.7437                 0.2271                 0.1074
  Dep-U Fr= 1--      0.8530                 0.3701                 0.1940
 Alpha2 Fr= 1--      0.0004                 0.0893                 0.2815
 Beta2  Fr= 1--      0.5863                 0.4364                 0.5294
 AlphaG Fr= 1--      0.0007                 0.0437                 0.0520
 Gamma2 Fr= 1--     -0.1406                -0.0686                 0.5159
 Delta2 Fr= 1--      0.0338                -0.0055                 0.1952
 Raman1 Fr= 1--      16.497                 28.300                 65.492
 ROA1   Fr= 1--     -12.420                 -6.767                 55.772
 CID1   Fr= 1--      -0.753                 -0.239                  0.852
 Raman2 Fr= 1--       7.036                  5.237                  6.352
 ROA2   Fr= 1--      -3.646                 -1.603                 10.819
 CID2   Fr= 1--      -0.518                 -0.306                  1.703
 Raman3 Fr= 1--      14.072                 10.474                 12.705
 ROA3   Fr= 1--     -12.420                 -6.767                 55.772
 CID3   Fr= 1--      -0.883                 -0.646                  4.390
 RC180  Fr= 1--       0.706                 -0.260                 -0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.00    -0.02  -0.04  -0.01    -0.07   0.03   0.00
     2   6     0.01  -0.01  -0.00     0.05  -0.03  -0.00     0.03   0.02   0.00
     3   6     0.01   0.00   0.00    -0.06  -0.00  -0.00     0.24  -0.01   0.01
     4   6    -0.00  -0.01  -0.00     0.03   0.03   0.00     0.07   0.04   0.01
     5   6     0.04  -0.02  -0.00    -0.03   0.04   0.00    -0.09  -0.05  -0.01
     6   6    -0.01   0.07   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     7   6    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.08  -0.08  -0.04
     8   7     0.00   0.00  -0.00     0.00  -0.00  -0.01    -0.01   0.01   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01  -0.00     0.02   0.04   0.00
    10   1    -0.00  -0.00  -0.00    -0.05   0.04  -0.03     0.19  -0.18   0.15
    11   1    -0.01  -0.01   0.01     0.10   0.01   0.03    -0.45   0.00  -0.16
    12   1    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.07  -0.07  -0.03
    13   1     0.00  -0.00  -0.01    -0.01   0.02   0.01     0.04  -0.08  -0.05
    14   1    -0.01   0.00   0.00     0.04  -0.00  -0.04    -0.14   0.01   0.13
    15   1    -0.13  -0.10  -0.02     0.41   0.32   0.05     0.12   0.07   0.02
    16   1     0.43  -0.17  -0.01    -0.39   0.18   0.01    -0.45   0.08  -0.01
    17   1    -0.10   0.66   0.07    -0.01  -0.03  -0.00    -0.00   0.07   0.01
    18   1    -0.40  -0.31  -0.05    -0.31  -0.27  -0.04    -0.36  -0.18  -0.03
    19   1     0.16  -0.07  -0.00     0.54  -0.22  -0.01    -0.21   0.12   0.01
    20   1    -0.00   0.00   0.00     0.02  -0.02   0.04    -0.15   0.07  -0.19
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1267.1470              1309.0859              1354.1959
 Red. masses --      1.7513                 2.2104                 2.3234
 Frc consts  --      1.6568                 2.2319                 2.5104
 IR Inten    --     10.6710                 8.1742                 1.4248
 RamAct Fr= 1--     11.3470                 1.0302                 1.1081
  Dep-P Fr= 1--      0.0887                 0.7221                 0.6358
  Dep-U Fr= 1--      0.1629                 0.8386                 0.7773
 Alpha2 Fr= 1--      0.2042                 0.0005                 0.0023
 Beta2  Fr= 1--      0.3081                 0.1440                 0.1436
 AlphaG Fr= 1--     -0.1359                 0.0043                -0.0017
 Gamma2 Fr= 1--     -1.7382                 1.1508                 0.3766
 Delta2 Fr= 1--      0.1649                -0.2749                -0.5669
 Raman1 Fr= 1--      45.388                  4.121                  4.432
 ROA1   Fr= 1--    -161.586                101.677                 18.016
 CID1   Fr= 1--      -3.560                 24.674                  4.065
 Raman2 Fr= 1--       3.697                  1.728                  1.723
 ROA2   Fr= 1--     -43.035                 29.818                 13.574
 CID2   Fr= 1--     -11.642                 17.258                  7.879
 Raman3 Fr= 1--       7.393                  3.456                  3.446
 ROA3   Fr= 1--    -161.586                101.677                 18.016
 CID3   Fr= 1--     -21.856                 29.423                  5.229
 RC180  Fr= 1--      -0.674                  0.677                  0.555
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.00    -0.08  -0.07  -0.01    -0.09  -0.06  -0.01
     2   6     0.04  -0.02  -0.00     0.06  -0.06  -0.00     0.17  -0.04  -0.00
     3   6     0.09   0.05   0.01     0.01   0.21   0.01    -0.03   0.04   0.01
     4   6    -0.00  -0.01   0.00    -0.03  -0.06  -0.01    -0.15  -0.09  -0.01
     5   6    -0.01  -0.03  -0.00     0.07  -0.06  -0.00     0.11  -0.03   0.00
     6   6     0.01   0.01   0.00    -0.00   0.07   0.01    -0.02   0.17   0.02
     7   6    -0.13   0.13  -0.02    -0.12  -0.08   0.03     0.06   0.00  -0.02
     8   7     0.04  -0.05  -0.03     0.02   0.04  -0.00    -0.00  -0.00   0.01
     9   6     0.05  -0.10   0.01     0.05   0.06  -0.00    -0.02  -0.01   0.01
    10   1    -0.24   0.22  -0.19    -0.00  -0.10   0.01     0.03  -0.01   0.02
    11   1    -0.09  -0.01   0.50     0.59  -0.12  -0.22    -0.35   0.03   0.10
    12   1    -0.09   0.10   0.24    -0.09  -0.13  -0.08     0.04   0.03   0.00
    13   1    -0.01   0.20  -0.13     0.08  -0.12  -0.12    -0.02  -0.02   0.01
    14   1    -0.00   0.01  -0.32    -0.15   0.03   0.14     0.09  -0.01  -0.03
    15   1    -0.14  -0.12  -0.03    -0.24  -0.22  -0.03     0.41   0.35   0.06
    16   1    -0.12   0.01  -0.01    -0.31   0.09  -0.00     0.13  -0.03   0.00
    17   1     0.01  -0.06  -0.01     0.01  -0.05  -0.01     0.05  -0.34  -0.04
    18   1    -0.05  -0.00  -0.00     0.20   0.14   0.02    -0.09  -0.06  -0.01
    19   1    -0.01   0.01   0.00     0.24  -0.14  -0.02    -0.49   0.22   0.02
    20   1     0.25  -0.16   0.39    -0.09   0.03  -0.03    -0.03   0.02  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1379.4214              1400.4956              1410.4182
 Red. masses --      1.4056                 1.2045                 1.2753
 Frc consts  --      1.5758                 1.3920                 1.4948
 IR Inten    --      3.0787                 3.2215                 7.9655
 RamAct Fr= 1--      3.3925                 2.4073                 2.0701
  Dep-P Fr= 1--      0.4415                 0.6301                 0.6671
  Dep-U Fr= 1--      0.6126                 0.7730                 0.8003
 Alpha2 Fr= 1--      0.0215                 0.0052                 0.0031
 Beta2  Fr= 1--      0.3464                 0.3102                 0.2761
 AlphaG Fr= 1--      0.0269                 0.0053                 0.0048
 Gamma2 Fr= 1--     -1.3857                 1.4735                 0.4628
 Delta2 Fr= 1--     -0.8221                 0.5600                 0.3042
 Raman1 Fr= 1--      13.570                  9.629                  8.280
 ROA1   Fr= 1--    -159.330                159.378                 54.166
 CID1   Fr= 1--     -11.741                 16.552                  6.541
 Raman2 Fr= 1--       4.156                  3.722                  3.313
 ROA2   Fr= 1--     -26.680                 30.885                  8.675
 CID2   Fr= 1--      -6.419                  8.298                  2.618
 Raman3 Fr= 1--       8.313                  7.444                  6.627
 ROA3   Fr= 1--    -159.330                159.378                 54.166
 CID3   Fr= 1--     -19.167                 21.411                  8.174
 RC180  Fr= 1--       0.225                  0.546                  0.601
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.01     0.03   0.02   0.00    -0.01  -0.01  -0.00
     2   6    -0.02   0.01  -0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
     3   6    -0.03   0.07   0.02     0.00  -0.03   0.00    -0.01   0.01  -0.01
     4   6     0.01   0.01   0.00    -0.00  -0.01  -0.00    -0.01  -0.00   0.00
     5   6     0.05  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.00   0.00
     6   6     0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.00
     7   6     0.09  -0.02  -0.10    -0.04  -0.00  -0.07     0.01   0.01   0.07
     8   7    -0.02   0.02   0.03    -0.01   0.04   0.02     0.01  -0.03  -0.02
     9   6    -0.03  -0.03  -0.01     0.04  -0.01  -0.05     0.05  -0.01  -0.12
    10   1     0.16  -0.11   0.13     0.12  -0.17   0.11    -0.11   0.09  -0.09
    11   1    -0.44  -0.10   0.51     0.49  -0.22   0.45    -0.27   0.16  -0.32
    12   1    -0.02   0.09   0.09    -0.25   0.07   0.19    -0.33   0.20   0.31
    13   1    -0.05   0.05   0.15    -0.01   0.08   0.31    -0.00   0.09   0.47
    14   1     0.05  -0.04   0.02    -0.19  -0.05   0.19    -0.22  -0.12   0.41
    15   1    -0.20  -0.16  -0.01     0.13   0.09   0.01    -0.01  -0.00  -0.01
    16   1    -0.25   0.09   0.00     0.16  -0.06  -0.00    -0.05   0.03   0.00
    17   1    -0.03   0.19   0.02     0.02  -0.13  -0.01    -0.01   0.04   0.00
    18   1     0.23   0.16   0.03    -0.13  -0.10  -0.02     0.06   0.04   0.01
    19   1     0.27  -0.11   0.01    -0.13   0.04   0.01     0.05  -0.01  -0.01
    20   1    -0.09   0.08  -0.20    -0.11   0.08  -0.13     0.07  -0.07   0.13
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.8963              1491.9418              1496.3806
 Red. masses --      1.4810                 1.2224                 1.1326
 Frc consts  --      1.9395                 1.6031                 1.4942
 IR Inten    --      3.2431                12.5479                 1.7831
 RamAct Fr= 1--      1.8396                 2.7037                 4.0154
  Dep-P Fr= 1--      0.7493                 0.7141                 0.6900
  Dep-U Fr= 1--      0.8567                 0.8332                 0.8166
 Alpha2 Fr= 1--      0.0000                 0.0017                 0.0042
 Beta2  Fr= 1--      0.2627                 0.3754                 0.5465
 AlphaG Fr= 1--     -0.0011                 0.0027                -0.0364
 Gamma2 Fr= 1--      3.4205                -3.7773                -1.1084
 Delta2 Fr= 1--     -0.9552                 1.4508                -1.3928
 Raman1 Fr= 1--       7.358                 10.815                 16.062
 ROA1   Fr= 1--     297.800               -316.197               -150.975
 CID1   Fr= 1--      40.470                -29.238                 -9.400
 Raman2 Fr= 1--       3.152                  4.505                  6.558
 ROA2   Fr= 1--      89.734               -102.262                -15.459
 CID2   Fr= 1--      28.470                -22.698                 -2.357
 Raman3 Fr= 1--       6.304                  9.011                 13.115
 ROA3   Fr= 1--     297.800               -316.197               -150.975
 CID3   Fr= 1--      47.242                -35.091                -11.511
 RC180  Fr= 1--       0.713                  0.666                  0.633
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01   0.00    -0.06  -0.00  -0.00     0.03  -0.00   0.00
     2   6    -0.04  -0.05  -0.01     0.04   0.02   0.00    -0.02  -0.01  -0.00
     3   6    -0.02   0.10   0.01     0.01  -0.06  -0.01    -0.01   0.04   0.00
     4   6     0.07  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.01  -0.00
     5   6    -0.08  -0.03  -0.01     0.05   0.01   0.00    -0.03  -0.01  -0.00
     6   6    -0.02   0.08   0.01     0.01  -0.05  -0.01    -0.01   0.04   0.00
     7   6    -0.00  -0.03  -0.01    -0.03  -0.00  -0.00     0.03  -0.03   0.01
     8   7     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6    -0.04  -0.01  -0.02    -0.02  -0.04  -0.01     0.03  -0.03   0.02
    10   1     0.01  -0.04   0.01     0.02  -0.05   0.02     0.01   0.02   0.00
    11   1    -0.15  -0.00  -0.02     0.20  -0.04  -0.02    -0.12   0.01  -0.05
    12   1     0.23   0.42   0.19     0.45   0.42   0.08     0.25  -0.15  -0.23
    13   1     0.00  -0.07  -0.28    -0.08   0.37  -0.33    -0.12   0.62   0.04
    14   1     0.31  -0.16   0.37    -0.05  -0.13   0.39    -0.60   0.08  -0.09
    15   1    -0.09  -0.15  -0.01     0.04   0.08   0.01    -0.01  -0.04  -0.01
    16   1     0.16  -0.13  -0.01    -0.14   0.09   0.01     0.08  -0.06  -0.00
    17   1     0.05  -0.39  -0.04    -0.04   0.24   0.03     0.02  -0.16  -0.02
    18   1    -0.19  -0.21  -0.03     0.09   0.12   0.02    -0.05  -0.08  -0.01
    19   1     0.06  -0.10  -0.01    -0.09   0.08   0.01     0.06  -0.05  -0.00
    20   1    -0.01  -0.01   0.03    -0.03   0.00   0.02    -0.01   0.02  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7138              1629.5175              1647.5853
 Red. masses --      2.1769                 5.3851                 5.4922
 Frc consts  --      3.0131                 8.4248                 8.7840
 IR Inten    --      8.1307                 0.6492                 3.9181
 RamAct Fr= 1--      0.1043                 8.0114                41.1130
  Dep-P Fr= 1--      0.5537                 0.7119                 0.6136
  Dep-U Fr= 1--      0.7128                 0.8317                 0.7605
 Alpha2 Fr= 1--      0.0004                 0.0053                 0.1030
 Beta2  Fr= 1--      0.0124                 1.1105                 5.2113
 AlphaG Fr= 1--     -0.0002                 0.0042                 0.0749
 Gamma2 Fr= 1--      0.1995                -0.3987                 1.2124
 Delta2 Fr= 1--     -0.0771                -0.0266                -0.0110
 Raman1 Fr= 1--       0.417                 32.046                164.452
 ROA1   Fr= 1--      16.686                -39.126                116.043
 CID1   Fr= 1--      40.001                 -1.221                  0.706
 Raman2 Fr= 1--       0.149                 13.326                 62.536
 ROA2   Fr= 1--       5.405                 -9.356                 29.186
 CID2   Fr= 1--      36.360                 -0.702                  0.467
 Raman3 Fr= 1--       0.297                 26.652                125.071
 ROA3   Fr= 1--      16.686                -39.126                116.043
 CID3   Fr= 1--      56.121                 -1.468                  0.928
 RC180  Fr= 1--       0.426                  0.663                  0.521
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12  -0.02    -0.03  -0.21  -0.02    -0.26  -0.12  -0.02
     2   6    -0.09   0.08   0.01    -0.14   0.17   0.02     0.29  -0.04   0.00
     3   6     0.13   0.03   0.01     0.06  -0.29  -0.03    -0.21  -0.04  -0.01
     4   6    -0.05  -0.11  -0.01     0.05   0.19   0.02     0.28   0.13   0.02
     5   6    -0.13   0.09   0.01     0.11  -0.19  -0.02    -0.28   0.02  -0.01
     6   6     0.10   0.02   0.01    -0.05   0.35   0.04     0.13   0.04   0.01
     7   6    -0.02  -0.01  -0.00    -0.02   0.04   0.01     0.02   0.01   0.00
     8   7    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.01
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1     0.01  -0.02   0.01    -0.01   0.07  -0.01    -0.02   0.08  -0.01
    11   1    -0.06  -0.00   0.00     0.25  -0.01   0.01     0.03   0.00  -0.01
    12   1     0.04   0.05   0.02    -0.01  -0.00   0.01    -0.02  -0.00   0.00
    13   1    -0.00  -0.01  -0.06     0.00  -0.02  -0.00     0.00   0.01   0.03
    14   1     0.04  -0.02   0.04     0.02   0.00  -0.02    -0.02  -0.00   0.00
    15   1     0.40   0.22   0.04    -0.28  -0.06  -0.02    -0.29  -0.31  -0.04
    16   1     0.47  -0.14  -0.00    -0.24  -0.07  -0.01     0.27  -0.20  -0.01
    17   1     0.13  -0.00   0.00     0.07  -0.47  -0.05     0.16  -0.01   0.01
    18   1     0.39   0.24   0.04     0.24  -0.02   0.00     0.22   0.26   0.04
    19   1     0.43  -0.11  -0.00     0.32  -0.00   0.01    -0.31   0.21   0.02
    20   1    -0.01  -0.00   0.02     0.03   0.01  -0.05     0.02   0.02  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1659.7761              3023.8511              3033.0129
 Red. masses --      1.0940                 1.0776                 1.0434
 Frc consts  --      1.7757                 5.8056                 5.6555
 IR Inten    --     26.8895                12.2365                26.0649
 RamAct Fr= 1--      3.2062               141.2808                93.1976
  Dep-P Fr= 1--      0.7352                 0.0866                 0.0587
  Dep-U Fr= 1--      0.8474                 0.1594                 0.1108
 Alpha2 Fr= 1--      0.0008                 2.5558                 1.8033
 Beta2  Fr= 1--      0.4528                 3.7528                 1.7211
 AlphaG Fr= 1--      0.0107                 0.5980                -0.2010
 Gamma2 Fr= 1--      0.4443                 0.4474                 0.4177
 Delta2 Fr= 1--      0.6528                -0.2385                -0.5293
 Raman1 Fr= 1--      12.825                565.123                372.790
 ROA1   Fr= 1--      63.547                 35.321                 23.165
 CID1   Fr= 1--       4.955                  0.063                  0.062
 Raman2 Fr= 1--       5.434                 45.034                 20.653
 ROA2   Fr= 1--       5.442                 12.647                 14.259
 CID2   Fr= 1--       1.002                  0.281                  0.690
 Raman3 Fr= 1--      10.867                 90.068                 41.306
 ROA3   Fr= 1--      63.547                 35.321                 23.165
 CID3   Fr= 1--       5.847                  0.392                  0.561
 RC180  Fr= 1--       0.695                 -0.681                 -0.778
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.03  -0.01   0.00    -0.01  -0.07  -0.02    -0.01  -0.03  -0.01
     8   7     0.01  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.01    -0.00   0.02   0.01     0.02  -0.02  -0.04
    10   1    -0.08   0.69  -0.09     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.05  -0.03   0.03     0.13   0.86   0.22     0.06   0.38   0.10
    12   1    -0.00   0.04   0.03    -0.05   0.07  -0.08     0.19  -0.27   0.31
    13   1     0.01  -0.01  -0.02     0.12   0.03   0.01    -0.47  -0.10  -0.03
    14   1     0.01  -0.02   0.04    -0.05  -0.39  -0.11     0.08   0.61   0.17
    15   1     0.02   0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01  -0.02  -0.00    -0.01  -0.01  -0.00
    20   1     0.14   0.16  -0.67    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.8401              3115.2295              3156.3850
 Red. masses --      1.0978                 1.1031                 1.0863
 Frc consts  --      6.1952                 6.3076                 6.3766
 IR Inten    --     30.6352                23.2187                 9.1774
 RamAct Fr= 1--     73.7189                88.0607                29.9043
  Dep-P Fr= 1--      0.3171                 0.6844                 0.2134
  Dep-U Fr= 1--      0.4815                 0.8126                 0.3517
 Alpha2 Fr= 1--      0.7180                 0.1016                 0.3919
 Beta2  Fr= 1--      5.9155                11.9267                 1.7528
 AlphaG Fr= 1--     -0.1033                 0.0233                -0.0177
 Gamma2 Fr= 1--     -1.8826                 2.3078                -0.4922
 Delta2 Fr= 1--     -5.9920                 6.5275                -0.1512
 Raman1 Fr= 1--     294.876                352.243                119.617
 ROA1   Fr= 1--    -372.474                430.425                -52.091
 CID1   Fr= 1--      -1.263                  1.222                 -0.435
 Raman2 Fr= 1--      70.986                143.120                 21.034
 ROA2   Fr= 1--       2.753                  3.166                -10.604
 CID2   Fr= 1--       0.039                  0.022                 -0.504
 Raman3 Fr= 1--     141.972                286.240                 42.067
 ROA3   Fr= 1--    -372.474                430.425                -52.091
 CID3   Fr= 1--      -2.624                  1.504                 -1.238
 RC180  Fr= 1--      -0.037                  0.625                 -0.297
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02   0.03   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.06  -0.01
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.03  -0.08   0.01    -0.08   0.02  -0.04    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.02   0.15   0.04     0.00   0.00   0.00     0.01   0.02   0.01
    12   1    -0.23   0.29  -0.37     0.30  -0.42   0.50     0.00  -0.00   0.00
    13   1     0.52   0.09   0.03     0.67   0.15   0.03     0.00   0.00  -0.00
    14   1     0.07   0.61   0.18    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
    15   1     0.02  -0.02  -0.00    -0.01   0.01   0.00     0.22  -0.28  -0.02
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.09   0.24   0.03
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.20  -0.03  -0.01
    18   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.24  -0.31  -0.03
    19   1    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.28   0.72   0.09
    20   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3158.9430              3172.4675              3180.9528
 Red. masses --      1.0866                 1.0889                 1.0931
 Frc consts  --      6.3883                 6.4568                 6.5166
 IR Inten    --      5.8521                 3.1966                31.6049
 RamAct Fr= 1--     74.1140               127.2521                44.4668
  Dep-P Fr= 1--      0.7460                 0.4449                 0.7499
  Dep-U Fr= 1--      0.8546                 0.6158                 0.8571
 Alpha2 Fr= 1--      0.0050                 0.7961                 0.0001
 Beta2  Fr= 1--     10.5557                13.0610                 6.3518
 AlphaG Fr= 1--     -0.0025                -0.0182                -0.0001
 Gamma2 Fr= 1--     -0.4128                -0.7399                 0.0472
 Delta2 Fr= 1--     -1.0961                -0.9110                 0.6131
 Raman1 Fr= 1--     296.456                509.008                177.867
 ROA1   Fr= 1--     -74.700               -100.188                 24.149
 CID1   Fr= 1--      -0.252                 -0.197                  0.136
 Raman2 Fr= 1--     126.668                156.732                 76.222
 ROA2   Fr= 1--      -1.138                -10.470                 -3.773
 CID2   Fr= 1--      -0.009                 -0.067                 -0.049
 Raman3 Fr= 1--     253.337                313.464                152.444
 ROA3   Fr= 1--     -74.700               -100.188                 24.149
 CID3   Fr= 1--      -0.295                 -0.320                  0.158
 RC180  Fr= 1--       0.709                  0.232                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.02  -0.03  -0.00     0.04  -0.04  -0.00
     2   6    -0.01  -0.04  -0.00    -0.01  -0.03  -0.00    -0.01  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.04  -0.05  -0.00    -0.02   0.03   0.00     0.02  -0.02  -0.00
     5   6     0.01   0.03   0.00     0.01   0.03   0.00    -0.02  -0.05  -0.01
     6   6    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.01   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    15   1    -0.48   0.62   0.05     0.23  -0.30  -0.03    -0.18   0.23   0.02
    16   1    -0.14  -0.36  -0.05    -0.14  -0.35  -0.05     0.24   0.60   0.08
    17   1     0.09   0.01   0.00     0.64   0.09   0.03     0.02  -0.00   0.00
    18   1     0.08  -0.10  -0.01    -0.26   0.33   0.03    -0.40   0.51   0.05
    19   1     0.16   0.41   0.05     0.12   0.30   0.04     0.09   0.22   0.03
    20   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3193.8316              3478.1368              3555.2504
 Red. masses --      1.0973                 1.0485                 1.0929
 Frc consts  --      6.5947                 7.4732                 8.1390
 IR Inten    --     16.1824                 1.4087                 0.5000
 RamAct Fr= 1--    310.8149                98.5905                35.5695
  Dep-P Fr= 1--      0.0968                 0.0484                 0.7076
  Dep-U Fr= 1--      0.1766                 0.0924                 0.8288
 Alpha2 Fr= 1--      5.4842                 1.9548                 0.0262
 Beta2  Fr= 1--      9.1467                 1.5177                 4.9132
 AlphaG Fr= 1--     -0.0794                -0.2643                -0.0932
 Gamma2 Fr= 1--     -0.3939                -0.3531                 0.1996
 Delta2 Fr= 1--     -0.1942                -1.6315                 1.3296
 Raman1 Fr= 1--    1243.260                394.362                142.278
 ROA1   Fr= 1--     -44.032                -86.103                 61.713
 CID1   Fr= 1--      -0.035                 -0.218                  0.434
 Raman2 Fr= 1--     109.760                 18.213                 58.959
 ROA2   Fr= 1--      -7.901                  4.579                 -5.845
 CID2   Fr= 1--      -0.072                  0.251                 -0.099
 Raman3 Fr= 1--     219.521                 36.426                117.918
 ROA3   Fr= 1--     -44.032                -86.103                 61.713
 CID3   Fr= 1--      -0.201                 -2.364                  0.523
 RC180  Fr= 1--      -0.647                 -0.815                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.06  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.02  -0.04   0.03     0.02  -0.05  -0.06
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.29  -0.08  -0.60    -0.34   0.05   0.65
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00   0.01   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.09   0.11   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.16   0.42   0.05    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.72   0.10   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.29  -0.38  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    19   1    -0.05  -0.12  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.03   0.70   0.20     0.00   0.65   0.16

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   525.114091659.442701822.33125
           X            0.99994  -0.00194  -0.01109
           Y            0.00196   1.00000   0.00193
           Z            0.01108  -0.00195   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16494     0.05219     0.04753
 Rotational constants (GHZ):           3.43686     1.08756     0.99035
 Zero-point vibrational energy     455728.5 (Joules/Mol)
                                  108.92173 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.61   184.43   305.35   358.58   381.45
          (Kelvin)            453.92   486.16   594.08   703.24   792.86
                              860.89   918.86  1024.72  1099.29  1120.51
                             1226.37  1254.38  1318.68  1334.28  1377.80
                             1401.13  1453.95  1473.23  1497.82  1520.54
                             1592.72  1639.28  1704.17  1734.00  1746.34
                             1823.14  1883.48  1948.39  1984.68  2015.00
                             2029.28  2145.07  2146.57  2152.96  2205.23
                             2344.51  2370.51  2388.05  4350.65  4363.83
                             4452.78  4482.12  4541.33  4545.01  4564.47
                             4576.68  4595.21  5004.26  5115.21
 
 Zero-point correction=                           0.173578 (Hartree/Particle)
 Thermal correction to Energy=                    0.182170
 Thermal correction to Enthalpy=                  0.183114
 Thermal correction to Gibbs Free Energy=         0.139606
 Sum of electronic and zero-point Energies=           -366.227424
 Sum of electronic and thermal Energies=              -366.218832
 Sum of electronic and thermal Enthalpies=            -366.217887
 Sum of electronic and thermal Free Energies=         -366.261396
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.313             33.057             91.571
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.853
 Vibrational            112.536             27.096             22.430
 Vibration     1          0.593              1.985              6.211
 Vibration     2          0.611              1.925              2.973
 Vibration     3          0.643              1.822              2.024
 Vibration     4          0.662              1.764              1.736
 Vibration     5          0.671              1.737              1.628
 Vibration     6          0.703              1.644              1.333
 Vibration     7          0.718              1.600              1.222
 Vibration     8          0.777              1.442              0.916
 Vibration     9          0.845              1.275              0.687
 Vibration    10          0.906              1.137              0.542
 Vibration    11          0.956              1.035              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610700D-64        -64.214172       -147.858596
 Total V=0       0.422685D+16         15.626017         35.980233
 Vib (Bot)       0.258493D-77        -77.587551       -178.651939
 Vib (Bot)    1  0.836664D+01          0.922551          2.124253
 Vib (Bot)    2  0.159113D+01          0.201706          0.464446
 Vib (Bot)    3  0.935028D+00         -0.029175         -0.067179
 Vib (Bot)    4  0.783396D+00         -0.106018         -0.244116
 Vib (Bot)    5  0.730761D+00         -0.136225         -0.313669
 Vib (Bot)    6  0.597432D+00         -0.223712         -0.515115
 Vib (Bot)    7  0.550255D+00         -0.259436         -0.597374
 Vib (Bot)    8  0.427545D+00         -0.369019         -0.849697
 Vib (Bot)    9  0.339588D+00         -0.469048         -1.080023
 Vib (Bot)   10  0.284486D+00         -0.545938         -1.257070
 Vib (Bot)   11  0.249975D+00         -0.602103         -1.386393
 Vib (V=0)       0.178911D+03          2.252638          5.186890
 Vib (V=0)    1  0.888157D+01          0.948490          2.183978
 Vib (V=0)    2  0.216784D+01          0.336028          0.773733
 Vib (V=0)    3  0.156032D+01          0.193213          0.444891
 Vib (V=0)    4  0.142936D+01          0.155142          0.357227
 Vib (V=0)    5  0.138544D+01          0.141589          0.326021
 Vib (V=0)    6  0.127905D+01          0.106889          0.246121
 Vib (V=0)    7  0.124349D+01          0.094643          0.217924
 Vib (V=0)    8  0.115787D+01          0.063660          0.146583
 Vib (V=0)    9  0.110442D+01          0.043133          0.099318
 Vib (V=0)   10  0.107527D+01          0.031516          0.072569
 Vib (V=0)   11  0.105901D+01          0.024898          0.057331
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.451094D+06          5.654267         13.019431
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       333333333                                               111 1111 1111 11111111111                                    
     5  4       111111000                                               666 5444 4433 32221110000999988 77 7  65 5 4  4 33 222  1    
     5  7       987551932                                               643 3999 1075 06108305421752175 76 1  39 5 8  1 31 641  2   2
     5  8       412965534                                               080 3621 0094 97454977141487722 94 2  98 1 9  3 85 592  8   5
 
     X  X       XXXXXXXXX                                               XXX XXXX XXXX XXX XXXXXXXXXXXXX XX X   X X X  X XX XXX  X   X
                XX   XXX                                                X                     X      X  XX X     X          X        
                 X   XXX                                                X                     X      X   X X                X        
                                                                                                     X     X                         
                                                                                                     X     X                         
                                                                                                     X     X                         
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002670    0.000007893    0.000001968
      2        6          -0.000004194   -0.000000349    0.000000855
      3        6          -0.000008447    0.000002333   -0.000002740
      4        6           0.000006527    0.000002939    0.000001733
      5        6          -0.000005445   -0.000001554    0.000000674
      6        6          -0.000003923   -0.000007472   -0.000002398
      7        6           0.000031443   -0.000013167    0.000026803
      8        7          -0.000017494    0.000008271   -0.000012223
      9        6           0.000002935   -0.000011877   -0.000012023
     10        1           0.000003000   -0.000000962   -0.000002368
     11        1          -0.000003885    0.000000095   -0.000008171
     12        1          -0.000003120    0.000002496    0.000000140
     13        1           0.000002069    0.000005182    0.000002873
     14        1          -0.000003742    0.000004462    0.000000181
     15        1           0.000000237   -0.000002108   -0.000000437
     16        1          -0.000000115   -0.000002175    0.000000825
     17        1          -0.000001199    0.000000798    0.000001933
     18        1          -0.000001813    0.000000163   -0.000000529
     19        1           0.000001794    0.000001782   -0.000000338
     20        1           0.000002700    0.000003251    0.000003243
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000031443 RMS     0.000007393
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.138036D+03 -0.224067D+00  0.102460D+01
      2  -0.224067D+00  0.109217D+03  0.257379D+01
      3   0.102460D+01  0.257379D+01  0.791055D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.851521D+00  0.289812D+01  0.161175D+01
      2   0.826549D+00  0.827016D+01 -0.186825D+02
      3  -0.445642D+01 -0.350966D+02 -0.804219D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.627597D+02  0.459570D+00 -0.838405D+00
      2  -0.928188D+01  0.414726D+00 -0.520419D+01
      3  -0.534779D+02 -0.874297D+00  0.604259D+01
      4   0.269742D+01  0.734166D+02  0.182185D+02
      5   0.972846D+01  0.180882D+02 -0.477051D+02
      6   0.697496D+01  0.720355D+01 -0.841452D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.280644D+01 -0.876911D+00 -0.317662D+00 -0.572044D+01 -0.103214D+01
      2  -0.876911D+00  0.327551D+01  0.330716D+00 -0.103214D+01 -0.495609D+00
      3  -0.317662D+00  0.330716D+00  0.156787D+01 -0.510912D+00  0.628966D+00
                 6             7             8             9            10 
      1  -0.510912D+00 -0.115274D+01 -0.384695D+00  0.298843D+01  0.596930D+01
      2   0.628966D+00 -0.384695D+00  0.100977D+01 -0.355698D+01  0.249696D+01
      3  -0.204656D+01  0.298843D+01 -0.355698D+01 -0.956968D+00  0.771127D+00
                11            12            13            14            15 
      1   0.249696D+01  0.771127D+00 -0.729700D+01 -0.171461D+00 -0.103271D+00
      2  -0.253279D+01  0.314749D-01 -0.171461D+00 -0.137495D+01  0.584703D+00
      3   0.314749D-01 -0.112249D+01 -0.103271D+00  0.584703D+00 -0.219399D+01
                16            17            18            19            20 
      1  -0.895094D+00  0.595511D+00 -0.139730D+01 -0.188540D+02 -0.132408D+01
      2   0.595511D+00  0.713506D+00 -0.393774D+01 -0.132408D+01 -0.205372D+01
      3  -0.139730D+01 -0.393774D+01 -0.144425D+01 -0.398340D+00  0.218010D-01
                21            22            23            24            25 
      1  -0.398340D+00 -0.213024D+01  0.178319D+01  0.887235D+00 -0.449618D+00
      2   0.218010D-01  0.178319D+01 -0.617843D+00 -0.534398D-01  0.611168D+00
      3  -0.236901D+01  0.887235D+00 -0.534398D-01  0.333833D+00 -0.414962D+01
                26            27            28            29            30 
      1   0.611168D+00 -0.414962D+01  0.447150D+01 -0.683813D+00  0.531498D+00
      2  -0.363009D+00 -0.435076D+00 -0.683813D+00 -0.353537D+01 -0.328220D+00
      3  -0.435076D+00 -0.223621D-01  0.531498D+00 -0.328220D+00 -0.164412D+01
                31            32            33            34            35 
      1   0.836744D+01 -0.198517D+00  0.422661D+00  0.131327D+01  0.775635D-01
      2  -0.198517D+00  0.728815D+00 -0.486848D+00  0.775635D-01 -0.768218D+00
      3   0.422661D+00 -0.486848D+00  0.158600D+01 -0.180088D+01  0.313103D+01
                36            37            38            39            40 
      1  -0.180088D+01 -0.513266D+01 -0.567651D+00 -0.440538D+00  0.569938D+01
      2   0.313103D+01 -0.567651D+00  0.207047D+01 -0.726254D-02  0.608481D-01
      3   0.780049D+00 -0.440538D+00 -0.726254D-02  0.762065D+00 -0.415050D-01
                41            42            43            44            45 
      1   0.608481D-01 -0.415050D-01  0.402544D+00 -0.379723D+00  0.203567D+01
      2   0.114024D+01 -0.674407D+00 -0.379723D+00 -0.728254D+00  0.411571D+01
      3  -0.674407D+00  0.233202D+01  0.203567D+01  0.411571D+01  0.133846D+01
                46            47            48            49            50 
      1   0.661967D+01  0.276453D+00  0.277710D-01  0.450818D+00 -0.512249D+00
      2   0.276453D+00  0.313219D+01  0.126486D-01 -0.512249D+00 -0.172735D+00
      3   0.277710D-01  0.126486D-01  0.295152D+01 -0.864344D+00 -0.171663D+00
                51            52            53            54            55 
      1  -0.864344D+00 -0.175469D+00 -0.690254D+00  0.555713D+01  0.327198D+01
      2  -0.171663D+00 -0.690254D+00 -0.508183D-01  0.667905D+00  0.195425D+00
      3   0.355308D+00  0.555713D+01  0.667905D+00  0.609440D+00 -0.114934D+01
                56            57            58            59            60 
      1   0.195425D+00 -0.114934D+01 -0.425386D+01  0.976645D+00 -0.152700D+01
      2  -0.256661D+00 -0.763045D+00  0.976645D+00  0.638226D+01  0.207194D+01
      3  -0.763045D+00  0.291736D+01 -0.152700D+01  0.207194D+01 -0.125829D+01
                61            62            63            64            65 
      1   0.107629D+00 -0.769234D+00  0.588105D+01 -0.261461D+01  0.105428D+01
      2  -0.769234D+00  0.143350D+01 -0.128134D+00  0.105428D+01  0.156131D+00
      3   0.588105D+01 -0.128134D+00 -0.146244D+01 -0.589293D+00  0.871121D+00
                66            67            68            69            70 
      1  -0.589293D+00  0.365735D+01 -0.121327D+01  0.581136D+00 -0.228449D+01
      2   0.871121D+00 -0.121327D+01 -0.484119D+01 -0.130883D+01  0.411210D+00
      3  -0.430389D+01  0.581136D+00 -0.130883D+01  0.267013D+00 -0.506293D+01
                71            72            73            74            75 
      1   0.411210D+00 -0.506293D+01  0.819751D+01  0.202337D+01 -0.594858D+00
      2  -0.496248D+00  0.570240D-01  0.202337D+01 -0.929568D+00  0.744021D+00
      3   0.570240D-01  0.230674D+01 -0.594858D+00  0.744021D+00 -0.343270D+01
                76            77            78            79            80 
      1   0.323537D+01 -0.661379D+00  0.645656D+00  0.381597D+01  0.901514D+00
      2  -0.661379D+00 -0.369762D+01 -0.327629D+01  0.901514D+00 -0.273411D+01
      3   0.645656D+00 -0.327629D+01  0.188792D+01 -0.435894D+01  0.127639D+01
                81            82            83            84            85 
      1  -0.435894D+01 -0.935767D-01 -0.115243D+00 -0.586679D+00 -0.931802D+00
      2   0.127639D+01 -0.115243D+00  0.268752D+00 -0.162096D+00 -0.766715D-01
      3   0.504565D+00 -0.586679D+00 -0.162096D+00  0.297777D+01  0.109968D+00
                86            87            88            89            90 
      1  -0.766715D-01  0.109968D+00 -0.206487D+01  0.740859D-01  0.106226D+01
      2   0.721233D-01 -0.781501D+00  0.740859D-01 -0.124600D+01  0.650114D+00
      3  -0.781501D+00 -0.449725D+00  0.106226D+01  0.650114D+00 -0.794440D+01
                91            92            93            94            95 
      1   0.558357D-01 -0.123739D+01 -0.216868D+00 -0.231408D+01 -0.147221D+01
      2  -0.123739D+01 -0.984897D+00 -0.157674D+00 -0.147221D+01 -0.709725D+01
      3  -0.216868D+00 -0.157674D+00 -0.705732D+00 -0.116111D+00 -0.119604D+01
                96            97            98            99           100 
      1  -0.116111D+00 -0.256399D+00 -0.154453D+00 -0.951552D+00  0.408210D+00
      2  -0.119604D+01 -0.154453D+00 -0.135268D+01 -0.112380D+01 -0.751399D+00
      3  -0.160337D+01 -0.951552D+00 -0.112380D+01 -0.874663D+00  0.746721D+00
               101           102           103           104           105 
      1  -0.751399D+00  0.746721D+00 -0.135197D+01  0.163414D+00 -0.703724D-01
      2   0.918631D+00 -0.813855D+00  0.163414D+00 -0.195689D+01  0.221751D+01
      3  -0.813855D+00  0.230937D+01 -0.703724D-01  0.221751D+01 -0.297374D+01
               106           107           108           109           110 
      1   0.797237D+00 -0.294812D+00  0.445441D+00 -0.129555D+02 -0.156994D+01
      2  -0.294812D+00  0.200209D+01 -0.210914D+01 -0.156994D+01 -0.125210D+01
      3   0.445441D+00 -0.210914D+01  0.520639D+01  0.209079D+01  0.231252D+00
               111           112           113           114           115 
      1   0.209079D+01 -0.234476D+01 -0.143198D+01  0.431405D+00 -0.605836D+00
      2   0.231252D+00 -0.143198D+01 -0.424352D+00  0.546080D+00 -0.396327D-01
      3  -0.172342D+01  0.431405D+00  0.546080D+00 -0.668206D+00 -0.641531D+00
               116           117           118           119           120 
      1  -0.396327D-01 -0.641531D+00 -0.408612D+00  0.550358D+00  0.161362D+00
      2   0.840084D-01 -0.307311D+00  0.550358D+00  0.204860D+00 -0.206842D-02
      3  -0.307311D+00  0.753169D-01  0.161362D+00 -0.206842D-02  0.709662D+00
               121           122           123           124           125 
      1   0.200776D+01 -0.562697D+00 -0.834687D+00  0.319310D+00 -0.225725D+00
      2  -0.562697D+00  0.539781D+01  0.214599D+01 -0.225725D+00  0.154959D+01
      3  -0.834687D+00  0.214599D+01  0.259261D+01  0.820195D-01  0.106104D+01
               126           127           128           129           130 
      1   0.820195D-01 -0.366167D+01  0.219923D+01  0.745346D-01  0.283041D+01
      2   0.106104D+01  0.219923D+01 -0.252669D+01 -0.169676D+00 -0.283499D+01
      3   0.165750D+01  0.745346D-01 -0.169676D+00 -0.424353D+00 -0.236246D+00
               131           132           133           134           135 
      1  -0.283499D+01 -0.236246D+00  0.171156D+00 -0.321001D+00  0.610688D-01
      2   0.581232D+01  0.436738D+00 -0.321001D+00  0.498854D+00  0.110737D+00
      3   0.436738D+00  0.842960D+00  0.610688D-01  0.110737D+00  0.105044D+00
               136           137           138           139           140 
      1   0.223327D+01  0.259227D+01  0.329551D+00  0.243961D+01  0.385912D+01
      2   0.259227D+01  0.284195D+01  0.350881D+00  0.385912D+01  0.963466D+01
      3   0.329551D+00  0.350881D+00  0.413610D+00  0.482744D+00  0.108790D+01
               141           142           143           144           145 
      1   0.482744D+00  0.505958D+00  0.510531D+00  0.131522D+00  0.130934D+02
      2   0.108790D+01  0.510531D+00  0.118551D+01  0.181879D+00  0.142308D+01
      3   0.109644D+01  0.131522D+00  0.181879D+00  0.161272D+00  0.488614D+00
               146           147           148           149           150 
      1   0.142308D+01  0.488614D+00  0.140630D+01  0.174242D+01  0.241388D+00
      2   0.102492D+01  0.418110D-01  0.174242D+01  0.544328D+00  0.865061D-01
      3   0.418110D-01  0.102594D+01  0.241388D+00  0.865061D-01  0.153790D+00
               151           152           153           154           155 
      1   0.507067D+00  0.233949D+00 -0.362204D-01  0.511469D+01 -0.392703D+01
      2   0.233949D+00  0.585702D-01  0.200105D-01 -0.392703D+01  0.360652D+01
      3  -0.362204D-01  0.200105D-01  0.487754D-01 -0.328451D+00  0.243819D+00
               156           157           158           159           160 
      1  -0.328451D+00 -0.394960D+01  0.450493D+01  0.437321D+00 -0.345407D+00
      2   0.243819D+00  0.450493D+01 -0.665314D+01 -0.573810D+00  0.425911D+00
      3   0.647672D+00  0.437321D+00 -0.573810D+00 -0.886184D+00  0.138117D+00
               161           162           163           164           165 
      1   0.425911D+00  0.138117D+00 -0.152333D+01 -0.167930D+01 -0.233418D+00
      2  -0.738170D+00 -0.618675D-01 -0.167930D+01 -0.227350D+01 -0.293463D+00
      3  -0.618675D-01 -0.789141D-01 -0.233418D+00 -0.293463D+00 -0.245390D+00
               166           167           168           169           170 
      1  -0.173621D+01 -0.188699D+01 -0.264903D+00 -0.591791D-01 -0.338988D+00
      2  -0.188699D+01 -0.886860D+01 -0.994459D+00 -0.338988D+00 -0.114142D+01
      3  -0.264903D+00 -0.994459D+00 -0.106907D+01  0.121937D+00 -0.235735D+00
               171           172           173           174           175 
      1   0.121937D+00 -0.138499D+01 -0.786484D-01 -0.366523D+00  0.193552D+01
      2  -0.235735D+00 -0.786484D-01 -0.115462D+01 -0.182187D+00 -0.103602D+01
      3  -0.139206D+00 -0.366523D+00 -0.182187D+00 -0.311734D+00  0.329843D+00
               176           177           178           179           180 
      1  -0.103602D+01  0.329843D+00  0.348961D+00 -0.242928D+00 -0.105670D+00
      2   0.648763D+01 -0.289047D+00 -0.242928D+00  0.108354D+01  0.623938D+00
      3  -0.289047D+00  0.170124D+01 -0.105670D+00  0.623938D+00  0.129652D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.959829D+00 -0.559007D+00  0.263291D+01 -0.129814D+01 -0.422422D+00
      2  -0.209455D-01  0.863447D+00  0.241358D+01 -0.148641D+00  0.202306D+01
      3   0.649922D+01 -0.923856D+01 -0.475025D+00  0.897705D+01  0.257911D+01
                 6             7             8             9            10 
      1  -0.189599D+01  0.670797D+01  0.393450D+01  0.494738D+00  0.119659D+01
      2  -0.638579D+01 -0.350191D+01 -0.103373D+02 -0.238990D+01  0.651451D+00
      3  -0.809512D+00  0.417785D+00 -0.163474D+01  0.542863D+01 -0.100963D+02
                11            12            13            14            15 
      1   0.805765D+00 -0.214223D+01  0.363114D+00  0.512423D+00 -0.262197D+01
      2   0.809264D+00 -0.134215D+01  0.172612D+01 -0.382458D+00 -0.121700D+01
      3  -0.432413D+01 -0.153684D+01  0.408802D+01  0.654933D+01 -0.379950D-01
                16            17            18            19            20 
      1  -0.484287D+01  0.600860D+00 -0.504275D+00 -0.182160D+01 -0.137335D+00
      2  -0.122286D+02 -0.206225D+01 -0.104998D+01 -0.329092D+01  0.148444D+00
      3  -0.958753D-01 -0.237595D+00  0.562053D+01  0.567257D+01  0.745358D+01
                21            22            23            24            25 
      1   0.764634D-01 -0.108588D+01 -0.214468D+01  0.110925D+01 -0.700519D+00
      2  -0.233280D+01 -0.652177D+00  0.829432D+00 -0.103733D+01 -0.185262D+02
      3   0.610443D+00  0.191813D+02  0.130176D+01  0.135274D+00 -0.157408D+01
                26            27            28            29            30 
      1   0.105108D+02  0.192443D+01  0.211459D+00 -0.409266D+00  0.277380D+01
      2   0.194533D+00 -0.210020D+01  0.498612D+00  0.206077D+00 -0.110164D+01
      3  -0.606631D+00  0.789481D+00 -0.185848D+01  0.128424D+01  0.535132D+00
                31            32            33            34            35 
      1   0.430492D+00  0.145857D+00 -0.147563D+01  0.700431D+01  0.330689D+01
      2   0.179902D+01  0.200628D+00  0.123004D+01 -0.120298D+02  0.571288D+00
      3  -0.206588D+01 -0.703046D+01 -0.351229D+00 -0.711955D+00  0.786322D+00
                36            37            38            39            40 
      1   0.275104D+00 -0.426945D+00  0.817179D+00 -0.207733D+01  0.774593D+00
      2   0.514740D+00 -0.146999D+00  0.114318D+01 -0.606399D-02  0.580606D+00
      3  -0.633702D+01  0.523179D+01 -0.144815D+02 -0.138033D+01  0.389609D+01
                41            42            43            44            45 
      1   0.877116D-01 -0.347695D+01 -0.550615D+01  0.641472D+00 -0.653771D+00
      2  -0.172723D+01  0.561584D+01 -0.815552D+01  0.956872D+01  0.236025D+01
      3  -0.359754D+00  0.127729D+01  0.451616D+00  0.148467D+01 -0.474804D+01
                46            47            48            49            50 
      1   0.475505D+00 -0.234147D+00 -0.954901D+00 -0.297652D-01 -0.115454D+01
      2  -0.100838D+00 -0.218693D+00  0.788822D+01 -0.300718D+01 -0.217005D+00
      3  -0.402369D+01 -0.647388D+01  0.620475D-01  0.111281D+02 -0.397541D+01
                51            52            53            54            55 
      1   0.271058D+01 -0.213980D+01  0.113835D+02  0.164002D+01 -0.677934D+00
      2   0.153921D+01  0.862208D+01  0.250745D+01  0.134483D+01  0.613830D+01
      3   0.993333D-01  0.186898D+01  0.312618D+00 -0.167843D+01 -0.407720D+01
                56            57            58            59            60 
      1  -0.456850D+00  0.100380D+00  0.150374D+01  0.196765D+01 -0.254511D+01
      2   0.127540D+01 -0.290428D+01 -0.733117D+00 -0.532784D+01  0.236592D+01
      3   0.874057D+00 -0.805307D+00  0.108494D+02  0.129186D+02  0.617518D+01
                61            62            63            64            65 
      1   0.100389D+01  0.181434D+01 -0.134337D+01 -0.233254D+00  0.281865D+01
      2  -0.147800D+02  0.378785D+00  0.203960D+01 -0.234279D+01 -0.156149D+01
      3   0.887846D+00  0.660634D+01 -0.414776D+01  0.640559D+01 -0.971698D+01
                66            67            68            69            70 
      1   0.149661D+01 -0.333630D+00  0.827498D+01 -0.211350D+01 -0.175303D+00
      2   0.187764D+02  0.144799D+01  0.237080D+01  0.162622D+00  0.807143D+01
      3   0.326767D+01 -0.207238D+01 -0.167538D+02 -0.354869D+01  0.909639D+00
                71            72            73            74            75 
      1   0.516150D+01 -0.291808D+01  0.281303D+01 -0.243079D+01  0.633139D+00
      2   0.112568D+01 -0.126225D+02 -0.117991D+02 -0.470233D+01  0.133945D+02
      3  -0.488567D+01 -0.121237D+01  0.577678D+01 -0.716115D+01  0.116156D+01
                76            77            78            79            80 
      1  -0.467812D+00 -0.686436D+01 -0.809006D+01 -0.992479D+00 -0.359521D+01
      2  -0.320477D+01  0.106704D+02 -0.585917D+01  0.820951D+01 -0.438877D+01
      3  -0.106905D+01 -0.121848D+02 -0.103881D+02 -0.521053D+00 -0.103412D+02
                81            82            83            84            85 
      1   0.424347D+01 -0.339380D+00 -0.170877D+01 -0.160298D+01 -0.777933D+00
      2   0.463053D+01  0.441244D+01  0.250181D-01 -0.824753D+01 -0.194209D+01
      3   0.588231D+01 -0.796131D+00  0.925012D+00 -0.241374D+00  0.131956D+01
                86            87            88            89            90 
      1  -0.150985D+00 -0.842521D-01 -0.739403D+00  0.293763D+01  0.227853D+01
      2   0.149532D+01  0.116286D+01 -0.917297D+01 -0.193941D+01  0.222213D+02
      3   0.580267D+00 -0.110984D+01 -0.494434D+00 -0.197961D+01  0.348307D+01
                91            92            93            94            95 
      1  -0.109847D+00 -0.765635D-01 -0.787309D+00 -0.279668D+00  0.279036D-01
      2   0.255420D+00  0.203691D+00  0.207496D+01 -0.650353D-01  0.258663D+01
      3  -0.397355D+01 -0.258964D+01 -0.256983D+00  0.301243D+01 -0.132348D+02
                96            97            98            99           100 
      1  -0.343567D+01 -0.430533D+00  0.106102D+01 -0.921395D+00 -0.129989D+01
      2   0.313743D+01  0.582493D-01  0.155948D+01  0.165788D+01 -0.419348D+01
      3  -0.287524D+01  0.280273D+00 -0.287029D+01 -0.101198D+01 -0.283967D+01
               101           102           103           104           105 
      1   0.236577D+01 -0.881696D-01  0.108492D+01 -0.292632D+01  0.956995D+00
      2   0.314987D+01 -0.586606D+01  0.324570D+01 -0.612771D+01  0.755961D+01
      3   0.246911D+01 -0.217119D+01  0.298661D+01 -0.440563D+01  0.538706D+01
               106           107           108           109           110 
      1  -0.149544D+00  0.462716D+01 -0.169487D+01 -0.158515D+01 -0.245834D+01
      2  -0.539075D+01  0.598837D+01 -0.133334D+02  0.101115D+02  0.149210D+01
      3  -0.137943D+01  0.481704D+01 -0.568514D+01 -0.931146D+00 -0.646926D+01
               111           112           113           114           115 
      1  -0.719417D+00 -0.161981D+01 -0.296223D-01 -0.343173D+00 -0.351795D-01
      2   0.579332D+01  0.188877D+01 -0.119994D+00  0.184909D+01  0.572870D+00
      3   0.198134D+00 -0.223803D+01 -0.709117D+00  0.132693D+01  0.208485D+00
               116           117           118           119           120 
      1   0.847884D+00 -0.514082D+00  0.159659D+01  0.833547D+00 -0.412345D+00
      2   0.652443D+00  0.901922D+00 -0.104333D+01 -0.827591D+00 -0.134854D+01
      3   0.119660D+01 -0.607379D+00  0.275242D+01  0.100781D+01 -0.493045D-01
               121           122           123           124           125 
      1   0.312969D+00  0.103214D+02  0.770833D+00 -0.400067D+00  0.416174D+01
      2  -0.162193D+01 -0.582965D+01 -0.560085D+01 -0.166740D+01 -0.220654D+01
      3   0.237931D+01  0.158979D+02  0.562411D+01 -0.592875D+00  0.417173D+01
               126           127           128           129           130 
      1   0.159744D+01  0.422801D+00 -0.456240D+00  0.255323D+01  0.709208D-01
      2  -0.399049D+01  0.122824D+01 -0.239908D+00  0.851261D+00 -0.635250D+00
      3   0.277623D+01 -0.109277D+02  0.371432D+01 -0.104651D+00  0.766052D+01
               131           132           133           134           135 
      1   0.145377D+00 -0.328450D+01  0.124475D+00  0.209296D+01 -0.224703D-01
      2   0.544943D+00 -0.150388D+01 -0.200524D+01  0.183917D+00 -0.240478D+00
      3  -0.560512D+01 -0.717445D+00 -0.617159D+00 -0.788892D+00 -0.251749D+00
               136           137           138           139           140 
      1  -0.431456D-01  0.100661D+00 -0.167555D+01 -0.721777D-01  0.312006D+00
      2   0.441592D-01  0.276013D+00  0.153715D+01  0.250870D+00  0.148787D+01
      3  -0.761268D+00 -0.283538D+01 -0.260200D+00 -0.127302D+01 -0.139984D+02
               141           142           143           144           145 
      1  -0.464309D+01  0.675624D+00  0.188263D+01 -0.372544D+00 -0.440065D-01
      2   0.309946D+01 -0.779495D+00 -0.300677D+00  0.378143D+00  0.485129D+00
      3  -0.144040D+01 -0.108863D+00 -0.175677D+01 -0.250562D+00 -0.846692D+00
               146           147           148           149           150 
      1   0.186224D+00 -0.731938D+00 -0.122893D-02  0.264105D-01 -0.445955D+00
      2  -0.394252D-01  0.651698D+01  0.813521D+00  0.184154D+00  0.913106D+00
      3  -0.563811D+01  0.565336D-01 -0.383688D+01 -0.172739D+01 -0.221004D+00
               151           152           153           154           155 
      1   0.548442D+00  0.580493D+00  0.665513D-02  0.532745D-01 -0.299152D+00
      2  -0.311038D+01 -0.270439D+00  0.170330D+00 -0.125136D+00  0.920267D-01
      3  -0.767439D+00 -0.403578D+00  0.102653D+00  0.151556D+01 -0.507401D+01
               156           157           158           159           160 
      1   0.239114D+01  0.147255D+00  0.118807D+00 -0.345117D+01 -0.804367D+00
      2   0.310042D+01  0.514196D+00 -0.841097D+00 -0.351552D+01 -0.989508D+00
      3  -0.144741D+00 -0.333209D+01  0.111114D+02  0.805124D+00 -0.634763D+00
               161           162           163           164           165 
      1   0.159402D+01 -0.136056D+00  0.139966D+00  0.811417D-01 -0.151615D+01
      2   0.571716D+00 -0.276596D+00 -0.823318D+00 -0.592493D+00  0.258908D+00
      3   0.117937D+01 -0.156462D+00  0.622040D+01  0.368274D+01  0.527725D+00
               166           167           168           169           170 
      1  -0.299588D-01  0.414002D+00 -0.445659D+01  0.538864D+00  0.208554D+01
      2  -0.675136D+00 -0.125009D+01  0.442716D+00 -0.178321D+01 -0.209405D+00
      3   0.735707D+01  0.892930D+01  0.125140D+01  0.126128D+01  0.109645D+01
               171           172           173           174           175 
      1  -0.345084D+00  0.631761D+00  0.121751D+01  0.506601D-01  0.795985D+00
      2   0.515554D-01  0.573619D+00 -0.215698D+00  0.956655D-01  0.418536D+00
      3  -0.238103D-01  0.116808D+01 -0.201534D+01 -0.280699D+00  0.206909D+01
               176           177           178           179           180 
      1  -0.994850D+01 -0.273636D+01  0.202112D+00 -0.102268D+01 -0.174699D+01
      2  -0.570213D+00 -0.395835D+01 -0.430472D+00 -0.147574D+01 -0.779127D+00
      3   0.200052D+02 -0.707262D-01  0.121201D+01  0.385388D+01  0.202780D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.354930D+01  0.243148D+02  0.278187D+01 -0.290121D+02  0.491056D+01
      2  -0.204832D+00 -0.158009D+02  0.150123D+00  0.286161D+02 -0.939090D+01
      3   0.375414D+01 -0.851395D+01 -0.293199D+01  0.396019D+00  0.448034D+01
      4   0.136681D+02  0.234348D+01  0.737529D+00 -0.675327D+00  0.104244D+02
      5   0.686724D+00  0.815315D+00  0.455539D+01 -0.320476D+01  0.475670D+01
      6  -0.105774D+00 -0.107498D+01 -0.729398D+01  0.389713D+01 -0.382756D+01
                 6             7             8             9            10 
      1   0.615528D+00 -0.430906D+01  0.205662D+01  0.115745D+01  0.157340D+02
      2  -0.628274D+00  0.558573D+01 -0.443023D+01 -0.791290D+01 -0.101258D+02
      3   0.127464D-01 -0.127667D+01  0.237362D+01  0.675545D+01 -0.560818D+01
      4   0.480334D+01 -0.185476D+01  0.476612D+01 -0.165037D+02 -0.333991D+01
      5  -0.140185D+02  0.205347D+02 -0.163460D+02 -0.520645D+01 -0.418042D+00
      6   0.421778D+01 -0.787912D+01  0.132303D+02 -0.137010D+00 -0.608736D-01
                11            12            13            14            15 
      1  -0.106554D+02 -0.236298D+00  0.129429D+01  0.951667D+01  0.248074D+01
      2   0.772512D+01 -0.560886D+00 -0.104070D+02 -0.161073D+02 -0.457285D+01
      3   0.293026D+01  0.797183D+00  0.911271D+01  0.659060D+01  0.209211D+01
      4  -0.166959D+02 -0.146375D+01  0.922272D+01 -0.150450D+02 -0.106041D+01
      5  -0.142460D+01 -0.415344D+01  0.112259D+01 -0.118704D+01 -0.194083D+00
      6  -0.696137D+00  0.513983D+01 -0.279669D+01 -0.583028D+01  0.596612D+01
                16            17            18            19            20 
      1   0.130066D+01  0.190404D+01 -0.153405D+02 -0.175781D+02 -0.510424D+01
      2  -0.304406D+01 -0.602458D+01  0.262568D+01  0.294559D+01  0.344368D+01
      3   0.174340D+01  0.412054D+01  0.127148D+02  0.146325D+02  0.166055D+01
      4  -0.103759D+01 -0.162388D+01 -0.668880D+01 -0.287236D+01  0.148126D+01
      5   0.642144D+01 -0.532883D+01 -0.141009D+01 -0.711615D+00 -0.871495D+00
      6   0.173725D+01  0.159622D+02  0.267025D+01 -0.238550D+01  0.240547D+00
                21            22            23            24            25 
      1  -0.103228D+01 -0.868220D+00 -0.115820D+02 -0.955601D+00 -0.402492D+00
      2  -0.982011D+00 -0.347618D+01  0.196155D+02  0.412436D+01 -0.215185D+01
      3   0.201429D+01  0.434440D+01 -0.803351D+01 -0.316876D+01  0.255434D+01
      4  -0.569459D+00 -0.114033D+02 -0.670912D+00  0.385882D+00 -0.322682D+01
      5   0.258321D+01 -0.454053D+01 -0.413123D-01 -0.222236D+01  0.849891D+01
      6   0.234090D+01 -0.206707D+01  0.300652D+01 -0.346160D+01  0.255663D+01
                26            27            28            29            30 
      1  -0.191382D+01 -0.554974D+01 -0.259594D+01  0.170672D+02  0.186101D+01
      2   0.299107D+01 -0.609128D+01  0.197254D+01 -0.118513D+02  0.106947D+01
      3  -0.107725D+01  0.116410D+02  0.623400D+00 -0.521588D+01 -0.293048D+01
      4   0.173709D+01  0.164636D+00  0.127193D+02 -0.116677D+02 -0.441602D+00
      5  -0.670713D-01 -0.123963D+01 -0.121527D+01 -0.755219D+00 -0.277472D+01
      6   0.488249D+01 -0.142386D+01  0.110864D+01 -0.517399D+00 -0.717013D+01
                31            32            33            34            35 
      1  -0.617767D+01  0.509909D+01  0.230200D+01 -0.222372D+01  0.235641D+01
      2   0.160500D+02 -0.894668D+01 -0.130232D+01  0.494757D+01 -0.361595D+01
      3  -0.987233D+01  0.384759D+01 -0.999680D+00 -0.272385D+01  0.125954D+01
      4   0.541147D+01  0.146804D+02  0.190675D+01  0.187330D+01  0.635595D+00
      5   0.350668D+00  0.199838D+01 -0.119111D+01  0.995069D+00  0.131976D+01
      6   0.484771D+01 -0.260567D+01  0.404148D+01 -0.653969D+01  0.108579D+02
                36            37            38            39            40 
      1  -0.140846D+02  0.116061D+02 -0.214059D+02 -0.162843D+01  0.201880D+02
      2   0.215238D+01 -0.119899D+02  0.139996D+02  0.245868D-01 -0.188567D+02
      3   0.119322D+02  0.383823D+00  0.740626D+01  0.160385D+01 -0.133124D+01
      4   0.285060D+01 -0.174568D+02 -0.500896D+01 -0.152343D+01  0.118107D+02
      5  -0.395915D+00 -0.492498D+00 -0.121290D+01 -0.173811D+01 -0.999521D+00
      6   0.504039D-01 -0.239704D+01 -0.323480D+00  0.461485D+01 -0.274740D+01
                41            42            43            44            45 
      1   0.119782D+02  0.187519D+01  0.217849D+01  0.579354D+00 -0.675955D+01
      2  -0.182015D+02 -0.396880D+01 -0.390633D+01 -0.512910D+01 -0.231881D+01
      3   0.622330D+01  0.209361D+01  0.172784D+01  0.454974D+01  0.907836D+01
      4  -0.504853D+01 -0.382597D+01 -0.199784D+01 -0.532354D+01  0.156172D+02
      5  -0.351085D+01  0.116368D+02  0.130419D+02  0.156694D+02  0.480522D+01
      6  -0.641821D+01  0.740656D+01  0.697586D+01  0.168528D+02  0.197725D+01
                46            47            48            49            50 
      1  -0.120193D+02 -0.467863D+01 -0.243045D+01  0.110552D+02 -0.226395D+02
      2   0.826313D+01  0.322141D+01  0.929719D+00 -0.109077D+02  0.212734D+02
      3   0.375618D+01  0.145722D+01  0.150073D+01 -0.147512D+00  0.136607D+01
      4  -0.167869D+01  0.218951D+02  0.293015D+00 -0.208270D+02 -0.195656D+01
      5  -0.306922D+01 -0.564343D-01  0.180328D+02 -0.591933D+01 -0.152938D+01
      6   0.682245D+00  0.847221D-01  0.244900D+01 -0.166648D+01  0.291029D+01
                51            52            53            54            55 
      1  -0.419602D+01 -0.141647D+01 -0.445665D+01  0.151731D+02  0.122871D+02
      2   0.540454D+01 -0.886743D+00  0.339640D+01 -0.183944D+02 -0.427679D+01
      3  -0.120852D+01  0.230321D+01  0.106025D+01  0.322130D+01 -0.801026D+01
      4  -0.160448D+01 -0.690512D+01 -0.842593D+00  0.407708D+01  0.294567D+01
      5   0.363277D+01  0.382770D+02  0.405862D+01  0.315924D+01  0.500873D+01
      6  -0.503116D+01  0.253425D+01  0.548539D+01 -0.228434D+01 -0.107338D+01
                56            57            58            59            60 
      1  -0.160789D+01  0.916055D+00  0.179110D+02  0.733112D+01  0.560312D+01
      2   0.378925D+00 -0.361431D+01 -0.166401D+02 -0.156147D+02 -0.864707D+01
      3   0.122897D+01  0.269826D+01 -0.127086D+01  0.828353D+01  0.304394D+01
      4  -0.649888D+01  0.191537D+01 -0.609501D+01 -0.258703D+02 -0.104451D+02
      5   0.125288D+01 -0.148789D+02  0.132336D+02 -0.855866D+01  0.945846D+01
      6  -0.148064D+01  0.152434D+01 -0.344956D+01 -0.451159D+01  0.828949D+00
                61            62            63            64            65 
      1  -0.752654D+01  0.242709D+01 -0.106323D+02  0.211504D+02  0.289336D+00
      2  -0.580834D+00 -0.283606D+01  0.125477D+02 -0.105607D+02 -0.166199D+01
      3   0.810737D+01  0.408970D+00 -0.191538D+01 -0.105897D+02  0.137265D+01
      4   0.671042D+01 -0.103938D+02  0.211320D+01 -0.672263D+01  0.122499D+02
      5  -0.398978D+02  0.103874D+01  0.407189D+01  0.677931D+01 -0.454422D+01
      6   0.906577D-01 -0.408491D+01  0.107498D+01 -0.401713D+01  0.451572D+01
                66            67            68            69            70 
      1  -0.795179D+01 -0.104669D+02  0.868947D+01 -0.261772D+01 -0.100634D+01
      2  -0.598644D+01  0.886863D+01 -0.123211D+02  0.475237D+00 -0.941653D+01
      3   0.139382D+02  0.159823D+01  0.363162D+01  0.214248D+01  0.104229D+02
      4  -0.344594D+01  0.155778D+02  0.228840D+02  0.868761D+01 -0.327379D+01
      5   0.262396D+02 -0.738079D+01  0.102288D+02 -0.339271D+01  0.354654D+02
      6  -0.374025D+01  0.680610D+01  0.728814D+01  0.585097D+01 -0.301678D+01
                71            72            73            74            75 
      1   0.170742D+01  0.253184D+02 -0.495112D+02 -0.130960D+02  0.139128D+02
      2  -0.330215D+01 -0.101573D+02  0.229564D+02  0.453009D+01 -0.154915D+00
      3   0.159473D+01 -0.151612D+02  0.265549D+02  0.856591D+01 -0.137579D+02
      4   0.815193D+01 -0.383817D+01 -0.168940D+02  0.582911D+01 -0.155564D+01
      5  -0.670261D+00  0.769309D+01  0.174863D+02  0.151997D+01  0.142754D+02
      6   0.655634D+01 -0.114003D+01  0.669618D+01 -0.508801D+01  0.290926D+01
                76            77            78            79            80 
      1  -0.153165D+02  0.123242D+02 -0.575090D+01  0.125607D+01 -0.803213D+01
      2   0.952254D+01 -0.213944D+01 -0.110015D+01  0.988567D+01  0.184570D+00
      3   0.579396D+01 -0.101847D+02  0.685105D+01 -0.111417D+02  0.784756D+01
      4   0.301671D+01  0.201904D+02  0.144897D+02 -0.364747D+01  0.136218D+02
      5   0.177601D+01  0.108354D+02 -0.479859D+01  0.241942D+02 -0.291930D+01
      6  -0.116799D+01 -0.961888D+01 -0.117831D+02  0.255599D+01 -0.909833D+01
                81            82            83            84            85 
      1   0.174108D+02  0.299345D+01 -0.107630D+00  0.119997D+02  0.415286D+01
      2  -0.132709D+02 -0.279075D+01  0.481829D+00  0.371074D+01 -0.190533D+01
      3  -0.413997D+01 -0.202702D+00 -0.374199D+00 -0.157104D+02 -0.224753D+01
      4  -0.462437D+01  0.312674D+00 -0.154748D+01 -0.560056D+00  0.128529D+01
      5  -0.120673D+02  0.144003D+01  0.818215D+00 -0.675535D+01  0.232459D+00
      6   0.790788D+01  0.686043D+00 -0.170386D+01  0.102473D+01 -0.193532D+00
                86            87            88            89            90 
      1  -0.355596D+01 -0.763657D+00  0.130370D+02  0.228575D+01 -0.284192D+02
      2   0.870680D+00 -0.491622D-01 -0.259303D+01 -0.802903D+00 -0.994614D+01
      3   0.268528D+01  0.812819D+00 -0.104440D+02 -0.148284D+01  0.383653D+02
      4  -0.863300D+00  0.257052D+01 -0.233800D+01  0.344587D+01 -0.315087D+00
      5   0.187436D+01  0.521387D+00  0.220021D+01 -0.221847D+01  0.227470D+02
      6  -0.477443D+00  0.580235D+01  0.799004D+00  0.516971D+01 -0.533284D+01
                91            92            93            94            95 
      1   0.149318D+01  0.338715D+01  0.111757D+01  0.913445D+00 -0.142828D+02
      2   0.276398D+01 -0.625721D-01  0.118172D+00  0.331756D+01  0.270250D+02
      3  -0.425716D+01 -0.332458D+01 -0.123574D+01 -0.423101D+01 -0.127422D+02
      4   0.738053D+01  0.100087D+02  0.169692D+01  0.105321D+02  0.300280D+02
      5   0.160024D+01  0.170458D+01  0.507154D+01  0.931973D+00  0.436363D+01
      6   0.212474D+01  0.858140D+00  0.320116D+00  0.891913D+00  0.769031D+01
                96            97            98            99           100 
      1  -0.258535D+01  0.125234D+01 -0.263083D+01 -0.320650D+01 -0.243933D+01
      2   0.374548D+01  0.280988D+00  0.271237D+01  0.192115D+01 -0.187708D+00
      3  -0.116013D+01 -0.153332D+01 -0.815354D-01  0.128535D+01  0.262703D+01
      4   0.512885D+01  0.170828D+01  0.560661D+01  0.456307D+01  0.185404D+01
      5   0.680941D+01  0.606429D+01  0.422064D+01  0.303054D+01  0.291200D+00
      6   0.587952D+01  0.131725D+01  0.817406D+01  0.356112D+01 -0.327621D+01
               101           102           103           104           105 
      1   0.657778D+01 -0.105914D+02  0.692999D+01 -0.112223D+02  0.115015D+02
      2  -0.237511D+01 -0.513638D+00 -0.370948D+01  0.502983D+01  0.451262D+00
      3  -0.420267D+01  0.111050D+02 -0.322050D+01  0.619243D+01 -0.119527D+02
      4  -0.236432D+01  0.167507D+01  0.196586D+01  0.681074D+01 -0.875331D+01
      5  -0.110006D+00 -0.349739D+01 -0.409448D+01 -0.650912D+01  0.964141D+01
      6   0.490883D+01 -0.491748D+01  0.868499D+00 -0.103350D+02  0.128771D+02
               106           107           108           109           110 
      1  -0.608741D+01  0.985936D+01 -0.214212D+02  0.791583D+02  0.886354D+01
      2   0.108685D+01  0.336241D+00 -0.626393D+01 -0.419647D+02 -0.331036D+01
      3   0.500057D+01 -0.101956D+02  0.276852D+02 -0.371936D+02 -0.555318D+01
      4   0.900789D-02 -0.831314D+01  0.809359D+01  0.156216D+02  0.127369D+02
      5   0.471847D+01  0.657885D+01 -0.156532D+02 -0.323381D+02 -0.407419D+01
      6  -0.134498D+01  0.114945D+02 -0.137589D+02 -0.512723D+01 -0.417830D+01
               111           112           113           114           115 
      1  -0.811165D+01  0.114417D+02  0.605840D+01 -0.225747D-01  0.301015D+01
      2   0.838058D+01 -0.463600D+01 -0.203376D+01  0.131912D+01  0.824778D+00
      3  -0.268931D+00 -0.680571D+01 -0.402464D+01 -0.129654D+01 -0.383493D+01
      4  -0.238781D+01  0.135501D+02  0.444265D+01 -0.314325D+01  0.422744D+00
      5   0.162880D+02 -0.576150D+01 -0.429708D+01  0.391311D+01  0.800629D+01
      6   0.166646D+01 -0.333245D+01 -0.848433D+00  0.303905D+01  0.868391D+00
               116           117           118           119           120 
      1   0.952656D+00  0.368606D+01  0.433904D+01 -0.241056D+01 -0.409241D+01
      2   0.521046D+00 -0.318118D+01 -0.132802D+01  0.169882D+01  0.343357D+00
      3  -0.147370D+01 -0.504884D+00 -0.301101D+01  0.711739D+00  0.374905D+01
      4  -0.745939D+00  0.224594D+01 -0.162961D+01  0.115289D+01  0.715045D+00
      5   0.178546D+01 -0.204688D+01 -0.223996D+01  0.171967D+01 -0.913301D+00
      6   0.194423D+01 -0.919640D+00  0.165761D+01  0.939217D+00  0.164478D+00
               121           122           123           124           125 
      1  -0.622663D+01 -0.884242D+01 -0.439410D+01 -0.203771D+01 -0.322709D+01
      2   0.386380D+01  0.802657D+01 -0.203157D+01  0.117844D+01 -0.697833D+00
      3   0.236283D+01  0.815842D+00  0.642567D+01  0.859271D+00  0.392492D+01
      4   0.641977D+01 -0.270739D+02 -0.105789D+02  0.130636D+01 -0.749718D+01
      5   0.804959D+01 -0.905373D+01 -0.122154D+02  0.217970D+01 -0.475115D+01
      6  -0.193185D+01  0.186416D+02  0.112053D+02 -0.105164D+01  0.961127D+01
               126           127           128           129           130 
      1  -0.682714D+01 -0.421004D+01  0.717033D+01  0.689905D+00  0.750602D+01
      2  -0.660490D+00  0.564190D+01 -0.103911D+02 -0.683638D+00 -0.105836D+02
      3   0.748763D+01 -0.143186D+01  0.322076D+01 -0.626658D-02  0.307759D+01
      4  -0.505797D+01 -0.849962D+01  0.831324D+01  0.532073D+00  0.862177D+01
      5  -0.613705D+01 -0.222507D+00  0.584696D+00  0.223360D+01  0.401122D+00
      6   0.528871D+01  0.419442D+00 -0.739724D+00 -0.222758D+01 -0.116104D+01
               131           132           133           134           135 
      1  -0.208321D+02 -0.204019D+01  0.826060D+00 -0.150626D+01 -0.533232D+00
      2   0.283145D+02  0.162055D+01 -0.124653D+01  0.192654D+01  0.102828D+01
      3  -0.748239D+01  0.419644D+00  0.420466D+00 -0.420278D+00 -0.495044D+00
      4  -0.877708D+01 -0.503598D+00  0.934981D+00 -0.446685D+00 -0.181382D+01
      5  -0.724457D+00 -0.172310D+01  0.878468D+00 -0.374609D+00 -0.471239D+00
      6   0.247774D+01  0.525437D+01 -0.185975D+00  0.178155D+01  0.794441D+00
               136           137           138           139           140 
      1   0.547604D+01  0.420723D+01  0.460185D+00 -0.692107D+00 -0.169150D+02
      2   0.361107D+01  0.595293D+01  0.228033D+00  0.120826D+02  0.404966D+02
      3  -0.908711D+01 -0.101602D+02 -0.688217D+00 -0.113905D+02 -0.235816D+02
      4   0.183692D+02  0.233131D+02  0.262151D+01  0.250423D+02  0.478367D+02
      5   0.229859D+01  0.255532D+01  0.402907D+01  0.288884D+01  0.499767D+01
      6   0.173004D+01  0.207518D+01  0.240430D+01  0.294739D+01  0.713624D+01
               141           142           143           144           145 
      1  -0.206650D+01  0.602699D-02 -0.172818D+01 -0.132253D+01  0.982161D+02
      2   0.315912D+01  0.127149D+01  0.415731D+01  0.220616D+01 -0.551803D+02
      3  -0.109262D+01 -0.127752D+01 -0.242912D+01 -0.883624D+00 -0.430358D+02
      4   0.525248D+01  0.316869D+01  0.600477D+01  0.211550D+01  0.155071D+02
      5   0.523885D+01  0.123603D+01  0.151580D+01  0.106101D+01  0.485437D+01
      6   0.800195D+01  0.141067D+01  0.292768D+01  0.166092D+01 -0.995931D+00
               146           147           148           149           150 
      1   0.962982D+01  0.311553D+01  0.881073D+01  0.978301D+01  0.991339D+00
      2  -0.465446D+01 -0.215507D+01 -0.376033D+01 -0.433641D+01 -0.822892D+00
      3  -0.497536D+01 -0.960466D+00 -0.505040D+01 -0.544660D+01 -0.168448D+00
      4   0.107237D+02  0.379694D+00  0.165242D+02  0.514972D+01  0.812144D+00
      5   0.374963D+00  0.107930D+02  0.204964D+01  0.796927D+00  0.137366D+01
      6   0.146491D+00  0.905928D+00  0.457342D+00 -0.159936D-01  0.176217D+01
               151           152           153           154           155 
      1   0.389321D+01  0.105978D+01  0.266449D+01  0.227274D+02 -0.135975D+02
      2  -0.216727D+01 -0.551973D+00 -0.164040D+01 -0.415079D+01 -0.137093D+01
      3  -0.172593D+01 -0.507810D+00 -0.102410D+01 -0.185766D+02  0.149685D+02
      4   0.224021D+01  0.924197D+00  0.506941D+00 -0.336687D+02  0.306944D+02
      5   0.173969D+01  0.232953D+00  0.664755D+00 -0.338003D+01  0.239794D+01
      6   0.114724D+00  0.671480D+00  0.247134D+00  0.127423D+01 -0.106762D+01
               156           157           158           159           160 
      1  -0.133479D+01 -0.981035D+01  0.336954D+01  0.342255D+00 -0.535952D+00
      2   0.510460D+00 -0.637758D+01  0.172231D+02  0.399834D+00 -0.724320D+00
      3   0.824327D+00  0.161879D+02 -0.205926D+02 -0.742089D+00  0.126027D+01
      4   0.219140D+01  0.344244D+02 -0.443399D+02 -0.371615D+01  0.330438D+01
      5   0.617757D+01  0.352489D+01 -0.398921D+01 -0.553182D+01  0.190348D+01
      6  -0.322806D+01 -0.216011D+01  0.293516D+01  0.585338D+01 -0.129563D+01
               161           162           163           164           165 
      1   0.142710D-01  0.594383D-01 -0.512996D+01 -0.918800D+01 -0.133471D+01
      2   0.157673D+01  0.868610D+00  0.666357D+01  0.114550D+02  0.988202D+00
      3  -0.159100D+01 -0.928048D+00 -0.153361D+01 -0.226696D+01  0.346505D+00
      4  -0.396846D+01 -0.202660D+01  0.356981D+01  0.722180D+01  0.690822D+00
      5  -0.171859D+01 -0.801640D+00  0.434888D+00  0.498622D+00  0.137463D+01
      6   0.200064D+01  0.931939D+00  0.118829D+01  0.196712D+01  0.207558D+01
               166           167           168           169           170 
      1  -0.712641D+01 -0.342683D+02 -0.414497D+01 -0.124662D+01 -0.444201D+01
      2   0.870584D+01  0.467808D+02  0.395838D+01  0.155351D+01  0.556363D+01
      3  -0.157942D+01 -0.125125D+02  0.186588D+00 -0.306896D+00 -0.112162D+01
      4   0.557021D+01 -0.130010D+01 -0.452888D+00  0.816506D+00  0.329656D-01
      5   0.723821D+00 -0.684461D+00  0.176209D-01  0.161642D+00  0.539269D+00
      6   0.132259D+01  0.704274D+01  0.755748D+01  0.371068D+00  0.272719D+01
               171           172           173           174           175 
      1  -0.178883D+01  0.589972D+01  0.458150D-01  0.325567D+01 -0.435705D+01
      2   0.246403D+01 -0.408164D+01 -0.125935D+01 -0.248559D+01 -0.656998D-01
      3  -0.675195D+00 -0.181809D+01  0.121353D+01 -0.770074D+00  0.442275D+01
      4   0.120037D+01  0.590178D+00  0.503669D+01  0.107302D+01  0.806083D+01
      5   0.206303D+00  0.423148D+01  0.138069D+01  0.216290D+01 -0.338429D+01
      6   0.163258D+01  0.187162D+01  0.113418D+01  0.103771D+01  0.166011D+01
               176           177           178           179           180 
      1  -0.773120D+01  0.211010D+01 -0.650760D+00  0.101835D+01 -0.232149D+01
      2   0.200583D+02  0.189692D+01 -0.580615D+00  0.230903D+01  0.128662D+01
      3  -0.123271D+02 -0.400702D+01  0.123137D+01 -0.332739D+01  0.103487D+01
      4  -0.317254D+02  0.107134D+01  0.178652D+01 -0.577174D+01 -0.267961D+01
      5   0.233451D+00 -0.695588D+01  0.141654D+01 -0.278926D+01 -0.985128D+00
      6  -0.120658D+02  0.383694D+01 -0.242011D+00  0.207057D+01 -0.227234D+00
 Leave Link  716 at Mon Aug 16 21:53:03 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.138036D+03 -0.224067D+00  0.102460D+01
      2  -0.224067D+00  0.109217D+03  0.257379D+01
      3   0.102460D+01  0.257379D+01  0.791055D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.851521D+00  0.289812D+01  0.161175D+01
      2   0.826549D+00  0.827016D+01 -0.186825D+02
      3  -0.445642D+01 -0.350966D+02 -0.804219D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.627597D+02  0.459570D+00 -0.838405D+00
      2  -0.928188D+01  0.414726D+00 -0.520419D+01
      3  -0.534779D+02 -0.874297D+00  0.604259D+01
      4   0.269742D+01  0.734166D+02  0.182185D+02
      5   0.972846D+01  0.180882D+02 -0.477051D+02
      6   0.697496D+01  0.720355D+01 -0.841452D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.280644D+01 -0.876911D+00 -0.317662D+00 -0.572044D+01 -0.103214D+01
      2  -0.876911D+00  0.327551D+01  0.330716D+00 -0.103214D+01 -0.495609D+00
      3  -0.317662D+00  0.330716D+00  0.156787D+01 -0.510912D+00  0.628966D+00
                 6             7             8             9            10 
      1  -0.510912D+00 -0.115274D+01 -0.384695D+00  0.298843D+01  0.596930D+01
      2   0.628966D+00 -0.384695D+00  0.100977D+01 -0.355698D+01  0.249696D+01
      3  -0.204656D+01  0.298843D+01 -0.355698D+01 -0.956968D+00  0.771127D+00
                11            12            13            14            15 
      1   0.249696D+01  0.771127D+00 -0.729700D+01 -0.171461D+00 -0.103271D+00
      2  -0.253279D+01  0.314749D-01 -0.171461D+00 -0.137495D+01  0.584703D+00
      3   0.314749D-01 -0.112249D+01 -0.103271D+00  0.584703D+00 -0.219399D+01
                16            17            18            19            20 
      1  -0.895094D+00  0.595511D+00 -0.139730D+01 -0.188540D+02 -0.132408D+01
      2   0.595511D+00  0.713506D+00 -0.393774D+01 -0.132408D+01 -0.205372D+01
      3  -0.139730D+01 -0.393774D+01 -0.144425D+01 -0.398340D+00  0.218010D-01
                21            22            23            24            25 
      1  -0.398340D+00 -0.213024D+01  0.178319D+01  0.887235D+00 -0.449618D+00
      2   0.218010D-01  0.178319D+01 -0.617843D+00 -0.534398D-01  0.611168D+00
      3  -0.236901D+01  0.887235D+00 -0.534398D-01  0.333833D+00 -0.414962D+01
                26            27            28            29            30 
      1   0.611168D+00 -0.414962D+01  0.447150D+01 -0.683813D+00  0.531498D+00
      2  -0.363009D+00 -0.435076D+00 -0.683813D+00 -0.353537D+01 -0.328220D+00
      3  -0.435076D+00 -0.223621D-01  0.531498D+00 -0.328220D+00 -0.164412D+01
                31            32            33            34            35 
      1   0.836744D+01 -0.198517D+00  0.422661D+00  0.131327D+01  0.775635D-01
      2  -0.198517D+00  0.728815D+00 -0.486848D+00  0.775635D-01 -0.768218D+00
      3   0.422661D+00 -0.486848D+00  0.158600D+01 -0.180088D+01  0.313103D+01
                36            37            38            39            40 
      1  -0.180088D+01 -0.513266D+01 -0.567651D+00 -0.440538D+00  0.569938D+01
      2   0.313103D+01 -0.567651D+00  0.207047D+01 -0.726254D-02  0.608481D-01
      3   0.780049D+00 -0.440538D+00 -0.726254D-02  0.762065D+00 -0.415050D-01
                41            42            43            44            45 
      1   0.608481D-01 -0.415050D-01  0.402544D+00 -0.379723D+00  0.203567D+01
      2   0.114024D+01 -0.674407D+00 -0.379723D+00 -0.728254D+00  0.411571D+01
      3  -0.674407D+00  0.233202D+01  0.203567D+01  0.411571D+01  0.133846D+01
                46            47            48            49            50 
      1   0.661967D+01  0.276453D+00  0.277710D-01  0.450818D+00 -0.512249D+00
      2   0.276453D+00  0.313219D+01  0.126486D-01 -0.512249D+00 -0.172735D+00
      3   0.277710D-01  0.126486D-01  0.295152D+01 -0.864344D+00 -0.171663D+00
                51            52            53            54            55 
      1  -0.864344D+00 -0.175469D+00 -0.690254D+00  0.555713D+01  0.327198D+01
      2  -0.171663D+00 -0.690254D+00 -0.508183D-01  0.667905D+00  0.195425D+00
      3   0.355308D+00  0.555713D+01  0.667905D+00  0.609440D+00 -0.114934D+01
                56            57            58            59            60 
      1   0.195425D+00 -0.114934D+01 -0.425386D+01  0.976645D+00 -0.152700D+01
      2  -0.256661D+00 -0.763045D+00  0.976645D+00  0.638226D+01  0.207194D+01
      3  -0.763045D+00  0.291736D+01 -0.152700D+01  0.207194D+01 -0.125829D+01
                61            62            63            64            65 
      1   0.107629D+00 -0.769234D+00  0.588105D+01 -0.261461D+01  0.105428D+01
      2  -0.769234D+00  0.143350D+01 -0.128134D+00  0.105428D+01  0.156131D+00
      3   0.588105D+01 -0.128134D+00 -0.146244D+01 -0.589293D+00  0.871121D+00
                66            67            68            69            70 
      1  -0.589293D+00  0.365735D+01 -0.121327D+01  0.581136D+00 -0.228449D+01
      2   0.871121D+00 -0.121327D+01 -0.484119D+01 -0.130883D+01  0.411210D+00
      3  -0.430389D+01  0.581136D+00 -0.130883D+01  0.267013D+00 -0.506293D+01
                71            72            73            74            75 
      1   0.411210D+00 -0.506293D+01  0.819751D+01  0.202337D+01 -0.594858D+00
      2  -0.496248D+00  0.570240D-01  0.202337D+01 -0.929568D+00  0.744021D+00
      3   0.570240D-01  0.230674D+01 -0.594858D+00  0.744021D+00 -0.343270D+01
                76            77            78            79            80 
      1   0.323537D+01 -0.661379D+00  0.645656D+00  0.381597D+01  0.901514D+00
      2  -0.661379D+00 -0.369762D+01 -0.327629D+01  0.901514D+00 -0.273411D+01
      3   0.645656D+00 -0.327629D+01  0.188792D+01 -0.435894D+01  0.127639D+01
                81            82            83            84            85 
      1  -0.435894D+01 -0.935767D-01 -0.115243D+00 -0.586679D+00 -0.931802D+00
      2   0.127639D+01 -0.115243D+00  0.268752D+00 -0.162096D+00 -0.766715D-01
      3   0.504565D+00 -0.586679D+00 -0.162096D+00  0.297777D+01  0.109968D+00
                86            87            88            89            90 
      1  -0.766715D-01  0.109968D+00 -0.206487D+01  0.740859D-01  0.106226D+01
      2   0.721233D-01 -0.781501D+00  0.740859D-01 -0.124600D+01  0.650114D+00
      3  -0.781501D+00 -0.449725D+00  0.106226D+01  0.650114D+00 -0.794440D+01
                91            92            93            94            95 
      1   0.558357D-01 -0.123739D+01 -0.216868D+00 -0.231408D+01 -0.147221D+01
      2  -0.123739D+01 -0.984897D+00 -0.157674D+00 -0.147221D+01 -0.709725D+01
      3  -0.216868D+00 -0.157674D+00 -0.705732D+00 -0.116111D+00 -0.119604D+01
                96            97            98            99           100 
      1  -0.116111D+00 -0.256399D+00 -0.154453D+00 -0.951552D+00  0.408210D+00
      2  -0.119604D+01 -0.154453D+00 -0.135268D+01 -0.112380D+01 -0.751399D+00
      3  -0.160337D+01 -0.951552D+00 -0.112380D+01 -0.874663D+00  0.746721D+00
               101           102           103           104           105 
      1  -0.751399D+00  0.746721D+00 -0.135197D+01  0.163414D+00 -0.703724D-01
      2   0.918631D+00 -0.813855D+00  0.163414D+00 -0.195689D+01  0.221751D+01
      3  -0.813855D+00  0.230937D+01 -0.703724D-01  0.221751D+01 -0.297374D+01
               106           107           108           109           110 
      1   0.797237D+00 -0.294812D+00  0.445441D+00 -0.129555D+02 -0.156994D+01
      2  -0.294812D+00  0.200209D+01 -0.210914D+01 -0.156994D+01 -0.125210D+01
      3   0.445441D+00 -0.210914D+01  0.520639D+01  0.209079D+01  0.231252D+00
               111           112           113           114           115 
      1   0.209079D+01 -0.234476D+01 -0.143198D+01  0.431405D+00 -0.605836D+00
      2   0.231252D+00 -0.143198D+01 -0.424352D+00  0.546080D+00 -0.396327D-01
      3  -0.172342D+01  0.431405D+00  0.546080D+00 -0.668206D+00 -0.641531D+00
               116           117           118           119           120 
      1  -0.396327D-01 -0.641531D+00 -0.408612D+00  0.550358D+00  0.161362D+00
      2   0.840084D-01 -0.307311D+00  0.550358D+00  0.204860D+00 -0.206842D-02
      3  -0.307311D+00  0.753169D-01  0.161362D+00 -0.206842D-02  0.709662D+00
               121           122           123           124           125 
      1   0.200776D+01 -0.562697D+00 -0.834687D+00  0.319310D+00 -0.225725D+00
      2  -0.562697D+00  0.539781D+01  0.214599D+01 -0.225725D+00  0.154959D+01
      3  -0.834687D+00  0.214599D+01  0.259261D+01  0.820195D-01  0.106104D+01
               126           127           128           129           130 
      1   0.820195D-01 -0.366167D+01  0.219923D+01  0.745346D-01  0.283041D+01
      2   0.106104D+01  0.219923D+01 -0.252669D+01 -0.169676D+00 -0.283499D+01
      3   0.165750D+01  0.745346D-01 -0.169676D+00 -0.424353D+00 -0.236246D+00
               131           132           133           134           135 
      1  -0.283499D+01 -0.236246D+00  0.171156D+00 -0.321001D+00  0.610688D-01
      2   0.581232D+01  0.436738D+00 -0.321001D+00  0.498854D+00  0.110737D+00
      3   0.436738D+00  0.842960D+00  0.610688D-01  0.110737D+00  0.105044D+00
               136           137           138           139           140 
      1   0.223327D+01  0.259227D+01  0.329551D+00  0.243961D+01  0.385912D+01
      2   0.259227D+01  0.284195D+01  0.350881D+00  0.385912D+01  0.963466D+01
      3   0.329551D+00  0.350881D+00  0.413610D+00  0.482744D+00  0.108790D+01
               141           142           143           144           145 
      1   0.482744D+00  0.505958D+00  0.510531D+00  0.131522D+00  0.130934D+02
      2   0.108790D+01  0.510531D+00  0.118551D+01  0.181879D+00  0.142308D+01
      3   0.109644D+01  0.131522D+00  0.181879D+00  0.161272D+00  0.488614D+00
               146           147           148           149           150 
      1   0.142308D+01  0.488614D+00  0.140630D+01  0.174242D+01  0.241388D+00
      2   0.102492D+01  0.418110D-01  0.174242D+01  0.544328D+00  0.865061D-01
      3   0.418110D-01  0.102594D+01  0.241388D+00  0.865061D-01  0.153790D+00
               151           152           153           154           155 
      1   0.507067D+00  0.233949D+00 -0.362204D-01  0.511469D+01 -0.392703D+01
      2   0.233949D+00  0.585702D-01  0.200105D-01 -0.392703D+01  0.360652D+01
      3  -0.362204D-01  0.200105D-01  0.487754D-01 -0.328451D+00  0.243819D+00
               156           157           158           159           160 
      1  -0.328451D+00 -0.394960D+01  0.450493D+01  0.437321D+00 -0.345407D+00
      2   0.243819D+00  0.450493D+01 -0.665314D+01 -0.573810D+00  0.425911D+00
      3   0.647672D+00  0.437321D+00 -0.573810D+00 -0.886184D+00  0.138117D+00
               161           162           163           164           165 
      1   0.425911D+00  0.138117D+00 -0.152333D+01 -0.167930D+01 -0.233418D+00
      2  -0.738170D+00 -0.618675D-01 -0.167930D+01 -0.227350D+01 -0.293463D+00
      3  -0.618675D-01 -0.789141D-01 -0.233418D+00 -0.293463D+00 -0.245390D+00
               166           167           168           169           170 
      1  -0.173621D+01 -0.188699D+01 -0.264903D+00 -0.591791D-01 -0.338988D+00
      2  -0.188699D+01 -0.886860D+01 -0.994459D+00 -0.338988D+00 -0.114142D+01
      3  -0.264903D+00 -0.994459D+00 -0.106907D+01  0.121937D+00 -0.235735D+00
               171           172           173           174           175 
      1   0.121937D+00 -0.138499D+01 -0.786484D-01 -0.366523D+00  0.193552D+01
      2  -0.235735D+00 -0.786484D-01 -0.115462D+01 -0.182187D+00 -0.103602D+01
      3  -0.139206D+00 -0.366523D+00 -0.182187D+00 -0.311734D+00  0.329843D+00
               176           177           178           179           180 
      1  -0.103602D+01  0.329843D+00  0.348961D+00 -0.242928D+00 -0.105670D+00
      2   0.648763D+01 -0.289047D+00 -0.242928D+00  0.108354D+01  0.623938D+00
      3  -0.289047D+00  0.170124D+01 -0.105670D+00  0.623938D+00  0.129652D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.959829D+00 -0.559007D+00  0.263291D+01 -0.129814D+01 -0.422422D+00
      2  -0.209455D-01  0.863447D+00  0.241358D+01 -0.148641D+00  0.202306D+01
      3   0.649922D+01 -0.923856D+01 -0.475025D+00  0.897705D+01  0.257911D+01
                 6             7             8             9            10 
      1  -0.189599D+01  0.670797D+01  0.393450D+01  0.494738D+00  0.119659D+01
      2  -0.638579D+01 -0.350191D+01 -0.103373D+02 -0.238990D+01  0.651451D+00
      3  -0.809512D+00  0.417785D+00 -0.163474D+01  0.542863D+01 -0.100963D+02
                11            12            13            14            15 
      1   0.805765D+00 -0.214223D+01  0.363114D+00  0.512423D+00 -0.262197D+01
      2   0.809264D+00 -0.134215D+01  0.172612D+01 -0.382458D+00 -0.121700D+01
      3  -0.432413D+01 -0.153684D+01  0.408802D+01  0.654933D+01 -0.379950D-01
                16            17            18            19            20 
      1  -0.484287D+01  0.600860D+00 -0.504275D+00 -0.182160D+01 -0.137335D+00
      2  -0.122286D+02 -0.206225D+01 -0.104998D+01 -0.329092D+01  0.148444D+00
      3  -0.958753D-01 -0.237595D+00  0.562053D+01  0.567257D+01  0.745358D+01
                21            22            23            24            25 
      1   0.764634D-01 -0.108588D+01 -0.214468D+01  0.110925D+01 -0.700519D+00
      2  -0.233280D+01 -0.652177D+00  0.829432D+00 -0.103733D+01 -0.185262D+02
      3   0.610443D+00  0.191813D+02  0.130176D+01  0.135274D+00 -0.157408D+01
                26            27            28            29            30 
      1   0.105108D+02  0.192443D+01  0.211459D+00 -0.409266D+00  0.277380D+01
      2   0.194533D+00 -0.210020D+01  0.498612D+00  0.206077D+00 -0.110164D+01
      3  -0.606631D+00  0.789481D+00 -0.185848D+01  0.128424D+01  0.535132D+00
                31            32            33            34            35 
      1   0.430492D+00  0.145857D+00 -0.147563D+01  0.700431D+01  0.330689D+01
      2   0.179902D+01  0.200628D+00  0.123004D+01 -0.120298D+02  0.571288D+00
      3  -0.206588D+01 -0.703046D+01 -0.351229D+00 -0.711955D+00  0.786322D+00
                36            37            38            39            40 
      1   0.275104D+00 -0.426945D+00  0.817179D+00 -0.207733D+01  0.774593D+00
      2   0.514740D+00 -0.146999D+00  0.114318D+01 -0.606399D-02  0.580606D+00
      3  -0.633702D+01  0.523179D+01 -0.144815D+02 -0.138033D+01  0.389609D+01
                41            42            43            44            45 
      1   0.877116D-01 -0.347695D+01 -0.550615D+01  0.641472D+00 -0.653771D+00
      2  -0.172723D+01  0.561584D+01 -0.815552D+01  0.956872D+01  0.236025D+01
      3  -0.359754D+00  0.127729D+01  0.451616D+00  0.148467D+01 -0.474804D+01
                46            47            48            49            50 
      1   0.475505D+00 -0.234147D+00 -0.954901D+00 -0.297652D-01 -0.115454D+01
      2  -0.100838D+00 -0.218693D+00  0.788822D+01 -0.300718D+01 -0.217005D+00
      3  -0.402369D+01 -0.647388D+01  0.620475D-01  0.111281D+02 -0.397541D+01
                51            52            53            54            55 
      1   0.271058D+01 -0.213980D+01  0.113835D+02  0.164002D+01 -0.677934D+00
      2   0.153921D+01  0.862208D+01  0.250745D+01  0.134483D+01  0.613830D+01
      3   0.993333D-01  0.186898D+01  0.312618D+00 -0.167843D+01 -0.407720D+01
                56            57            58            59            60 
      1  -0.456850D+00  0.100380D+00  0.150374D+01  0.196765D+01 -0.254511D+01
      2   0.127540D+01 -0.290428D+01 -0.733117D+00 -0.532784D+01  0.236592D+01
      3   0.874057D+00 -0.805307D+00  0.108494D+02  0.129186D+02  0.617518D+01
                61            62            63            64            65 
      1   0.100389D+01  0.181434D+01 -0.134337D+01 -0.233254D+00  0.281865D+01
      2  -0.147800D+02  0.378785D+00  0.203960D+01 -0.234279D+01 -0.156149D+01
      3   0.887846D+00  0.660634D+01 -0.414776D+01  0.640559D+01 -0.971698D+01
                66            67            68            69            70 
      1   0.149661D+01 -0.333630D+00  0.827498D+01 -0.211350D+01 -0.175303D+00
      2   0.187764D+02  0.144799D+01  0.237080D+01  0.162622D+00  0.807143D+01
      3   0.326767D+01 -0.207238D+01 -0.167538D+02 -0.354869D+01  0.909639D+00
                71            72            73            74            75 
      1   0.516150D+01 -0.291808D+01  0.281303D+01 -0.243079D+01  0.633139D+00
      2   0.112568D+01 -0.126225D+02 -0.117991D+02 -0.470233D+01  0.133945D+02
      3  -0.488567D+01 -0.121237D+01  0.577678D+01 -0.716115D+01  0.116156D+01
                76            77            78            79            80 
      1  -0.467812D+00 -0.686436D+01 -0.809006D+01 -0.992479D+00 -0.359521D+01
      2  -0.320477D+01  0.106704D+02 -0.585917D+01  0.820951D+01 -0.438877D+01
      3  -0.106905D+01 -0.121848D+02 -0.103881D+02 -0.521053D+00 -0.103412D+02
                81            82            83            84            85 
      1   0.424347D+01 -0.339380D+00 -0.170877D+01 -0.160298D+01 -0.777933D+00
      2   0.463053D+01  0.441244D+01  0.250181D-01 -0.824753D+01 -0.194209D+01
      3   0.588231D+01 -0.796131D+00  0.925012D+00 -0.241374D+00  0.131956D+01
                86            87            88            89            90 
      1  -0.150985D+00 -0.842521D-01 -0.739403D+00  0.293763D+01  0.227853D+01
      2   0.149532D+01  0.116286D+01 -0.917297D+01 -0.193941D+01  0.222213D+02
      3   0.580267D+00 -0.110984D+01 -0.494434D+00 -0.197961D+01  0.348307D+01
                91            92            93            94            95 
      1  -0.109847D+00 -0.765635D-01 -0.787309D+00 -0.279668D+00  0.279036D-01
      2   0.255420D+00  0.203691D+00  0.207496D+01 -0.650353D-01  0.258663D+01
      3  -0.397355D+01 -0.258964D+01 -0.256983D+00  0.301243D+01 -0.132348D+02
                96            97            98            99           100 
      1  -0.343567D+01 -0.430533D+00  0.106102D+01 -0.921395D+00 -0.129989D+01
      2   0.313743D+01  0.582493D-01  0.155948D+01  0.165788D+01 -0.419348D+01
      3  -0.287524D+01  0.280273D+00 -0.287029D+01 -0.101198D+01 -0.283967D+01
               101           102           103           104           105 
      1   0.236577D+01 -0.881696D-01  0.108492D+01 -0.292632D+01  0.956995D+00
      2   0.314987D+01 -0.586606D+01  0.324570D+01 -0.612771D+01  0.755961D+01
      3   0.246911D+01 -0.217119D+01  0.298661D+01 -0.440563D+01  0.538706D+01
               106           107           108           109           110 
      1  -0.149544D+00  0.462716D+01 -0.169487D+01 -0.158515D+01 -0.245834D+01
      2  -0.539075D+01  0.598837D+01 -0.133334D+02  0.101115D+02  0.149210D+01
      3  -0.137943D+01  0.481704D+01 -0.568514D+01 -0.931146D+00 -0.646926D+01
               111           112           113           114           115 
      1  -0.719417D+00 -0.161981D+01 -0.296223D-01 -0.343173D+00 -0.351795D-01
      2   0.579332D+01  0.188877D+01 -0.119994D+00  0.184909D+01  0.572870D+00
      3   0.198134D+00 -0.223803D+01 -0.709117D+00  0.132693D+01  0.208485D+00
               116           117           118           119           120 
      1   0.847884D+00 -0.514082D+00  0.159659D+01  0.833547D+00 -0.412345D+00
      2   0.652443D+00  0.901922D+00 -0.104333D+01 -0.827591D+00 -0.134854D+01
      3   0.119660D+01 -0.607379D+00  0.275242D+01  0.100781D+01 -0.493045D-01
               121           122           123           124           125 
      1   0.312969D+00  0.103214D+02  0.770833D+00 -0.400067D+00  0.416174D+01
      2  -0.162193D+01 -0.582965D+01 -0.560085D+01 -0.166740D+01 -0.220654D+01
      3   0.237931D+01  0.158979D+02  0.562411D+01 -0.592875D+00  0.417173D+01
               126           127           128           129           130 
      1   0.159744D+01  0.422801D+00 -0.456240D+00  0.255323D+01  0.709208D-01
      2  -0.399049D+01  0.122824D+01 -0.239908D+00  0.851261D+00 -0.635250D+00
      3   0.277623D+01 -0.109277D+02  0.371432D+01 -0.104651D+00  0.766052D+01
               131           132           133           134           135 
      1   0.145377D+00 -0.328450D+01  0.124475D+00  0.209296D+01 -0.224703D-01
      2   0.544943D+00 -0.150388D+01 -0.200524D+01  0.183917D+00 -0.240478D+00
      3  -0.560512D+01 -0.717445D+00 -0.617159D+00 -0.788892D+00 -0.251749D+00
               136           137           138           139           140 
      1  -0.431456D-01  0.100661D+00 -0.167555D+01 -0.721777D-01  0.312006D+00
      2   0.441592D-01  0.276013D+00  0.153715D+01  0.250870D+00  0.148787D+01
      3  -0.761268D+00 -0.283538D+01 -0.260200D+00 -0.127302D+01 -0.139984D+02
               141           142           143           144           145 
      1  -0.464309D+01  0.675624D+00  0.188263D+01 -0.372544D+00 -0.440065D-01
      2   0.309946D+01 -0.779495D+00 -0.300677D+00  0.378143D+00  0.485129D+00
      3  -0.144040D+01 -0.108863D+00 -0.175677D+01 -0.250562D+00 -0.846692D+00
               146           147           148           149           150 
      1   0.186224D+00 -0.731938D+00 -0.122893D-02  0.264105D-01 -0.445955D+00
      2  -0.394252D-01  0.651698D+01  0.813521D+00  0.184154D+00  0.913106D+00
      3  -0.563811D+01  0.565336D-01 -0.383688D+01 -0.172739D+01 -0.221004D+00
               151           152           153           154           155 
      1   0.548442D+00  0.580493D+00  0.665513D-02  0.532745D-01 -0.299152D+00
      2  -0.311038D+01 -0.270439D+00  0.170330D+00 -0.125136D+00  0.920267D-01
      3  -0.767439D+00 -0.403578D+00  0.102653D+00  0.151556D+01 -0.507401D+01
               156           157           158           159           160 
      1   0.239114D+01  0.147255D+00  0.118807D+00 -0.345117D+01 -0.804367D+00
      2   0.310042D+01  0.514196D+00 -0.841097D+00 -0.351552D+01 -0.989508D+00
      3  -0.144741D+00 -0.333209D+01  0.111114D+02  0.805124D+00 -0.634763D+00
               161           162           163           164           165 
      1   0.159402D+01 -0.136056D+00  0.139966D+00  0.811417D-01 -0.151615D+01
      2   0.571716D+00 -0.276596D+00 -0.823318D+00 -0.592493D+00  0.258908D+00
      3   0.117937D+01 -0.156462D+00  0.622040D+01  0.368274D+01  0.527725D+00
               166           167           168           169           170 
      1  -0.299588D-01  0.414002D+00 -0.445659D+01  0.538864D+00  0.208554D+01
      2  -0.675136D+00 -0.125009D+01  0.442716D+00 -0.178321D+01 -0.209405D+00
      3   0.735707D+01  0.892930D+01  0.125140D+01  0.126128D+01  0.109645D+01
               171           172           173           174           175 
      1  -0.345084D+00  0.631761D+00  0.121751D+01  0.506601D-01  0.795985D+00
      2   0.515554D-01  0.573619D+00 -0.215698D+00  0.956655D-01  0.418536D+00
      3  -0.238103D-01  0.116808D+01 -0.201534D+01 -0.280699D+00  0.206909D+01
               176           177           178           179           180 
      1  -0.994850D+01 -0.273636D+01  0.202112D+00 -0.102268D+01 -0.174699D+01
      2  -0.570213D+00 -0.395835D+01 -0.430472D+00 -0.147574D+01 -0.779127D+00
      3   0.200052D+02 -0.707262D-01  0.121201D+01  0.385388D+01  0.202780D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.354930D+01  0.243148D+02  0.278187D+01 -0.290121D+02  0.491056D+01
      2  -0.204832D+00 -0.158009D+02  0.150123D+00  0.286161D+02 -0.939090D+01
      3   0.375414D+01 -0.851395D+01 -0.293199D+01  0.396019D+00  0.448034D+01
      4   0.136681D+02  0.234348D+01  0.737529D+00 -0.675327D+00  0.104244D+02
      5   0.686724D+00  0.815315D+00  0.455539D+01 -0.320476D+01  0.475670D+01
      6  -0.105774D+00 -0.107498D+01 -0.729398D+01  0.389713D+01 -0.382756D+01
                 6             7             8             9            10 
      1   0.615528D+00 -0.430906D+01  0.205662D+01  0.115745D+01  0.157340D+02
      2  -0.628274D+00  0.558573D+01 -0.443023D+01 -0.791290D+01 -0.101258D+02
      3   0.127464D-01 -0.127667D+01  0.237362D+01  0.675545D+01 -0.560818D+01
      4   0.480334D+01 -0.185476D+01  0.476612D+01 -0.165037D+02 -0.333991D+01
      5  -0.140185D+02  0.205347D+02 -0.163460D+02 -0.520645D+01 -0.418042D+00
      6   0.421778D+01 -0.787912D+01  0.132303D+02 -0.137010D+00 -0.608736D-01
                11            12            13            14            15 
      1  -0.106554D+02 -0.236298D+00  0.129429D+01  0.951667D+01  0.248074D+01
      2   0.772512D+01 -0.560886D+00 -0.104070D+02 -0.161073D+02 -0.457285D+01
      3   0.293026D+01  0.797183D+00  0.911271D+01  0.659060D+01  0.209211D+01
      4  -0.166959D+02 -0.146375D+01  0.922272D+01 -0.150450D+02 -0.106041D+01
      5  -0.142460D+01 -0.415344D+01  0.112259D+01 -0.118704D+01 -0.194083D+00
      6  -0.696137D+00  0.513983D+01 -0.279669D+01 -0.583028D+01  0.596612D+01
                16            17            18            19            20 
      1   0.130066D+01  0.190404D+01 -0.153405D+02 -0.175781D+02 -0.510424D+01
      2  -0.304406D+01 -0.602458D+01  0.262568D+01  0.294559D+01  0.344368D+01
      3   0.174340D+01  0.412054D+01  0.127148D+02  0.146325D+02  0.166055D+01
      4  -0.103759D+01 -0.162388D+01 -0.668880D+01 -0.287236D+01  0.148126D+01
      5   0.642144D+01 -0.532883D+01 -0.141009D+01 -0.711615D+00 -0.871495D+00
      6   0.173725D+01  0.159622D+02  0.267025D+01 -0.238550D+01  0.240547D+00
                21            22            23            24            25 
      1  -0.103228D+01 -0.868220D+00 -0.115820D+02 -0.955601D+00 -0.402492D+00
      2  -0.982011D+00 -0.347618D+01  0.196155D+02  0.412436D+01 -0.215185D+01
      3   0.201429D+01  0.434440D+01 -0.803351D+01 -0.316876D+01  0.255434D+01
      4  -0.569459D+00 -0.114033D+02 -0.670912D+00  0.385882D+00 -0.322682D+01
      5   0.258321D+01 -0.454053D+01 -0.413123D-01 -0.222236D+01  0.849891D+01
      6   0.234090D+01 -0.206707D+01  0.300652D+01 -0.346160D+01  0.255663D+01
                26            27            28            29            30 
      1  -0.191382D+01 -0.554974D+01 -0.259594D+01  0.170672D+02  0.186101D+01
      2   0.299107D+01 -0.609128D+01  0.197254D+01 -0.118513D+02  0.106947D+01
      3  -0.107725D+01  0.116410D+02  0.623400D+00 -0.521588D+01 -0.293048D+01
      4   0.173709D+01  0.164636D+00  0.127193D+02 -0.116677D+02 -0.441602D+00
      5  -0.670713D-01 -0.123963D+01 -0.121527D+01 -0.755219D+00 -0.277472D+01
      6   0.488249D+01 -0.142386D+01  0.110864D+01 -0.517399D+00 -0.717013D+01
                31            32            33            34            35 
      1  -0.617767D+01  0.509909D+01  0.230200D+01 -0.222372D+01  0.235641D+01
      2   0.160500D+02 -0.894668D+01 -0.130232D+01  0.494757D+01 -0.361595D+01
      3  -0.987233D+01  0.384759D+01 -0.999680D+00 -0.272385D+01  0.125954D+01
      4   0.541147D+01  0.146804D+02  0.190675D+01  0.187330D+01  0.635595D+00
      5   0.350668D+00  0.199838D+01 -0.119111D+01  0.995069D+00  0.131976D+01
      6   0.484771D+01 -0.260567D+01  0.404148D+01 -0.653969D+01  0.108579D+02
                36            37            38            39            40 
      1  -0.140846D+02  0.116061D+02 -0.214059D+02 -0.162843D+01  0.201880D+02
      2   0.215238D+01 -0.119899D+02  0.139996D+02  0.245868D-01 -0.188567D+02
      3   0.119322D+02  0.383823D+00  0.740626D+01  0.160385D+01 -0.133124D+01
      4   0.285060D+01 -0.174568D+02 -0.500896D+01 -0.152343D+01  0.118107D+02
      5  -0.395915D+00 -0.492498D+00 -0.121290D+01 -0.173811D+01 -0.999521D+00
      6   0.504039D-01 -0.239704D+01 -0.323480D+00  0.461485D+01 -0.274740D+01
                41            42            43            44            45 
      1   0.119782D+02  0.187519D+01  0.217849D+01  0.579354D+00 -0.675955D+01
      2  -0.182015D+02 -0.396880D+01 -0.390633D+01 -0.512910D+01 -0.231881D+01
      3   0.622330D+01  0.209361D+01  0.172784D+01  0.454974D+01  0.907836D+01
      4  -0.504853D+01 -0.382597D+01 -0.199784D+01 -0.532354D+01  0.156172D+02
      5  -0.351085D+01  0.116368D+02  0.130419D+02  0.156694D+02  0.480522D+01
      6  -0.641821D+01  0.740656D+01  0.697586D+01  0.168528D+02  0.197725D+01
                46            47            48            49            50 
      1  -0.120193D+02 -0.467863D+01 -0.243045D+01  0.110552D+02 -0.226395D+02
      2   0.826313D+01  0.322141D+01  0.929719D+00 -0.109077D+02  0.212734D+02
      3   0.375618D+01  0.145722D+01  0.150073D+01 -0.147512D+00  0.136607D+01
      4  -0.167869D+01  0.218951D+02  0.293015D+00 -0.208270D+02 -0.195656D+01
      5  -0.306922D+01 -0.564343D-01  0.180328D+02 -0.591933D+01 -0.152938D+01
      6   0.682245D+00  0.847221D-01  0.244900D+01 -0.166648D+01  0.291029D+01
                51            52            53            54            55 
      1  -0.419602D+01 -0.141647D+01 -0.445665D+01  0.151731D+02  0.122871D+02
      2   0.540454D+01 -0.886743D+00  0.339640D+01 -0.183944D+02 -0.427679D+01
      3  -0.120852D+01  0.230321D+01  0.106025D+01  0.322130D+01 -0.801026D+01
      4  -0.160448D+01 -0.690512D+01 -0.842593D+00  0.407708D+01  0.294567D+01
      5   0.363277D+01  0.382770D+02  0.405862D+01  0.315924D+01  0.500873D+01
      6  -0.503116D+01  0.253425D+01  0.548539D+01 -0.228434D+01 -0.107338D+01
                56            57            58            59            60 
      1  -0.160789D+01  0.916055D+00  0.179110D+02  0.733112D+01  0.560312D+01
      2   0.378925D+00 -0.361431D+01 -0.166401D+02 -0.156147D+02 -0.864707D+01
      3   0.122897D+01  0.269826D+01 -0.127086D+01  0.828353D+01  0.304394D+01
      4  -0.649888D+01  0.191537D+01 -0.609501D+01 -0.258703D+02 -0.104451D+02
      5   0.125288D+01 -0.148789D+02  0.132336D+02 -0.855866D+01  0.945846D+01
      6  -0.148064D+01  0.152434D+01 -0.344956D+01 -0.451159D+01  0.828949D+00
                61            62            63            64            65 
      1  -0.752654D+01  0.242709D+01 -0.106323D+02  0.211504D+02  0.289336D+00
      2  -0.580834D+00 -0.283606D+01  0.125477D+02 -0.105607D+02 -0.166199D+01
      3   0.810737D+01  0.408970D+00 -0.191538D+01 -0.105897D+02  0.137265D+01
      4   0.671042D+01 -0.103938D+02  0.211320D+01 -0.672263D+01  0.122499D+02
      5  -0.398978D+02  0.103874D+01  0.407189D+01  0.677931D+01 -0.454422D+01
      6   0.906577D-01 -0.408491D+01  0.107498D+01 -0.401713D+01  0.451572D+01
                66            67            68            69            70 
      1  -0.795179D+01 -0.104669D+02  0.868947D+01 -0.261772D+01 -0.100634D+01
      2  -0.598644D+01  0.886863D+01 -0.123211D+02  0.475237D+00 -0.941653D+01
      3   0.139382D+02  0.159823D+01  0.363162D+01  0.214248D+01  0.104229D+02
      4  -0.344594D+01  0.155778D+02  0.228840D+02  0.868761D+01 -0.327379D+01
      5   0.262396D+02 -0.738079D+01  0.102288D+02 -0.339271D+01  0.354654D+02
      6  -0.374025D+01  0.680610D+01  0.728814D+01  0.585097D+01 -0.301678D+01
                71            72            73            74            75 
      1   0.170742D+01  0.253184D+02 -0.495112D+02 -0.130960D+02  0.139128D+02
      2  -0.330215D+01 -0.101573D+02  0.229564D+02  0.453009D+01 -0.154915D+00
      3   0.159473D+01 -0.151612D+02  0.265549D+02  0.856591D+01 -0.137579D+02
      4   0.815193D+01 -0.383817D+01 -0.168940D+02  0.582911D+01 -0.155564D+01
      5  -0.670261D+00  0.769309D+01  0.174863D+02  0.151997D+01  0.142754D+02
      6   0.655634D+01 -0.114003D+01  0.669618D+01 -0.508801D+01  0.290926D+01
                76            77            78            79            80 
      1  -0.153165D+02  0.123242D+02 -0.575090D+01  0.125607D+01 -0.803213D+01
      2   0.952254D+01 -0.213944D+01 -0.110015D+01  0.988567D+01  0.184570D+00
      3   0.579396D+01 -0.101847D+02  0.685105D+01 -0.111417D+02  0.784756D+01
      4   0.301671D+01  0.201904D+02  0.144897D+02 -0.364747D+01  0.136218D+02
      5   0.177601D+01  0.108354D+02 -0.479859D+01  0.241942D+02 -0.291930D+01
      6  -0.116799D+01 -0.961888D+01 -0.117831D+02  0.255599D+01 -0.909833D+01
                81            82            83            84            85 
      1   0.174108D+02  0.299345D+01 -0.107630D+00  0.119997D+02  0.415286D+01
      2  -0.132709D+02 -0.279075D+01  0.481829D+00  0.371074D+01 -0.190533D+01
      3  -0.413997D+01 -0.202702D+00 -0.374199D+00 -0.157104D+02 -0.224753D+01
      4  -0.462437D+01  0.312674D+00 -0.154748D+01 -0.560056D+00  0.128529D+01
      5  -0.120673D+02  0.144003D+01  0.818215D+00 -0.675535D+01  0.232459D+00
      6   0.790788D+01  0.686043D+00 -0.170386D+01  0.102473D+01 -0.193532D+00
                86            87            88            89            90 
      1  -0.355596D+01 -0.763657D+00  0.130370D+02  0.228575D+01 -0.284192D+02
      2   0.870680D+00 -0.491622D-01 -0.259303D+01 -0.802903D+00 -0.994614D+01
      3   0.268528D+01  0.812819D+00 -0.104440D+02 -0.148284D+01  0.383653D+02
      4  -0.863300D+00  0.257052D+01 -0.233800D+01  0.344587D+01 -0.315087D+00
      5   0.187436D+01  0.521387D+00  0.220021D+01 -0.221847D+01  0.227470D+02
      6  -0.477443D+00  0.580235D+01  0.799004D+00  0.516971D+01 -0.533284D+01
                91            92            93            94            95 
      1   0.149318D+01  0.338715D+01  0.111757D+01  0.913445D+00 -0.142828D+02
      2   0.276398D+01 -0.625721D-01  0.118172D+00  0.331756D+01  0.270250D+02
      3  -0.425716D+01 -0.332458D+01 -0.123574D+01 -0.423101D+01 -0.127422D+02
      4   0.738053D+01  0.100087D+02  0.169692D+01  0.105321D+02  0.300280D+02
      5   0.160024D+01  0.170458D+01  0.507154D+01  0.931973D+00  0.436363D+01
      6   0.212474D+01  0.858140D+00  0.320116D+00  0.891913D+00  0.769031D+01
                96            97            98            99           100 
      1  -0.258535D+01  0.125234D+01 -0.263083D+01 -0.320650D+01 -0.243933D+01
      2   0.374548D+01  0.280988D+00  0.271237D+01  0.192115D+01 -0.187708D+00
      3  -0.116013D+01 -0.153332D+01 -0.815354D-01  0.128535D+01  0.262703D+01
      4   0.512885D+01  0.170828D+01  0.560661D+01  0.456307D+01  0.185404D+01
      5   0.680941D+01  0.606429D+01  0.422064D+01  0.303054D+01  0.291200D+00
      6   0.587952D+01  0.131725D+01  0.817406D+01  0.356112D+01 -0.327621D+01
               101           102           103           104           105 
      1   0.657778D+01 -0.105914D+02  0.692999D+01 -0.112223D+02  0.115015D+02
      2  -0.237511D+01 -0.513638D+00 -0.370948D+01  0.502983D+01  0.451262D+00
      3  -0.420267D+01  0.111050D+02 -0.322050D+01  0.619243D+01 -0.119527D+02
      4  -0.236432D+01  0.167507D+01  0.196586D+01  0.681074D+01 -0.875331D+01
      5  -0.110006D+00 -0.349739D+01 -0.409448D+01 -0.650912D+01  0.964141D+01
      6   0.490883D+01 -0.491748D+01  0.868499D+00 -0.103350D+02  0.128771D+02
               106           107           108           109           110 
      1  -0.608741D+01  0.985936D+01 -0.214212D+02  0.791583D+02  0.886354D+01
      2   0.108685D+01  0.336241D+00 -0.626393D+01 -0.419647D+02 -0.331036D+01
      3   0.500057D+01 -0.101956D+02  0.276852D+02 -0.371936D+02 -0.555318D+01
      4   0.900789D-02 -0.831314D+01  0.809359D+01  0.156216D+02  0.127369D+02
      5   0.471847D+01  0.657885D+01 -0.156532D+02 -0.323381D+02 -0.407419D+01
      6  -0.134498D+01  0.114945D+02 -0.137589D+02 -0.512723D+01 -0.417830D+01
               111           112           113           114           115 
      1  -0.811165D+01  0.114417D+02  0.605840D+01 -0.225747D-01  0.301015D+01
      2   0.838058D+01 -0.463600D+01 -0.203376D+01  0.131912D+01  0.824778D+00
      3  -0.268931D+00 -0.680571D+01 -0.402464D+01 -0.129654D+01 -0.383493D+01
      4  -0.238781D+01  0.135501D+02  0.444265D+01 -0.314325D+01  0.422744D+00
      5   0.162880D+02 -0.576150D+01 -0.429708D+01  0.391311D+01  0.800629D+01
      6   0.166646D+01 -0.333245D+01 -0.848433D+00  0.303905D+01  0.868391D+00
               116           117           118           119           120 
      1   0.952656D+00  0.368606D+01  0.433904D+01 -0.241056D+01 -0.409241D+01
      2   0.521046D+00 -0.318118D+01 -0.132802D+01  0.169882D+01  0.343357D+00
      3  -0.147370D+01 -0.504884D+00 -0.301101D+01  0.711739D+00  0.374905D+01
      4  -0.745939D+00  0.224594D+01 -0.162961D+01  0.115289D+01  0.715045D+00
      5   0.178546D+01 -0.204688D+01 -0.223996D+01  0.171967D+01 -0.913301D+00
      6   0.194423D+01 -0.919640D+00  0.165761D+01  0.939217D+00  0.164478D+00
               121           122           123           124           125 
      1  -0.622663D+01 -0.884242D+01 -0.439410D+01 -0.203771D+01 -0.322709D+01
      2   0.386380D+01  0.802657D+01 -0.203157D+01  0.117844D+01 -0.697833D+00
      3   0.236283D+01  0.815842D+00  0.642567D+01  0.859271D+00  0.392492D+01
      4   0.641977D+01 -0.270739D+02 -0.105789D+02  0.130636D+01 -0.749718D+01
      5   0.804959D+01 -0.905373D+01 -0.122154D+02  0.217970D+01 -0.475115D+01
      6  -0.193185D+01  0.186416D+02  0.112053D+02 -0.105164D+01  0.961127D+01
               126           127           128           129           130 
      1  -0.682714D+01 -0.421004D+01  0.717033D+01  0.689905D+00  0.750602D+01
      2  -0.660490D+00  0.564190D+01 -0.103911D+02 -0.683638D+00 -0.105836D+02
      3   0.748763D+01 -0.143186D+01  0.322076D+01 -0.626658D-02  0.307759D+01
      4  -0.505797D+01 -0.849962D+01  0.831324D+01  0.532073D+00  0.862177D+01
      5  -0.613705D+01 -0.222507D+00  0.584696D+00  0.223360D+01  0.401122D+00
      6   0.528871D+01  0.419442D+00 -0.739724D+00 -0.222758D+01 -0.116104D+01
               131           132           133           134           135 
      1  -0.208321D+02 -0.204019D+01  0.826060D+00 -0.150626D+01 -0.533232D+00
      2   0.283145D+02  0.162055D+01 -0.124653D+01  0.192654D+01  0.102828D+01
      3  -0.748239D+01  0.419644D+00  0.420466D+00 -0.420278D+00 -0.495044D+00
      4  -0.877708D+01 -0.503598D+00  0.934981D+00 -0.446685D+00 -0.181382D+01
      5  -0.724457D+00 -0.172310D+01  0.878468D+00 -0.374609D+00 -0.471239D+00
      6   0.247774D+01  0.525437D+01 -0.185975D+00  0.178155D+01  0.794441D+00
               136           137           138           139           140 
      1   0.547604D+01  0.420723D+01  0.460185D+00 -0.692107D+00 -0.169150D+02
      2   0.361107D+01  0.595293D+01  0.228033D+00  0.120826D+02  0.404966D+02
      3  -0.908711D+01 -0.101602D+02 -0.688217D+00 -0.113905D+02 -0.235816D+02
      4   0.183692D+02  0.233131D+02  0.262151D+01  0.250423D+02  0.478367D+02
      5   0.229859D+01  0.255532D+01  0.402907D+01  0.288884D+01  0.499767D+01
      6   0.173004D+01  0.207518D+01  0.240430D+01  0.294739D+01  0.713624D+01
               141           142           143           144           145 
      1  -0.206650D+01  0.602699D-02 -0.172818D+01 -0.132253D+01  0.982161D+02
      2   0.315912D+01  0.127149D+01  0.415731D+01  0.220616D+01 -0.551803D+02
      3  -0.109262D+01 -0.127752D+01 -0.242912D+01 -0.883624D+00 -0.430358D+02
      4   0.525248D+01  0.316869D+01  0.600477D+01  0.211550D+01  0.155071D+02
      5   0.523885D+01  0.123603D+01  0.151580D+01  0.106101D+01  0.485437D+01
      6   0.800195D+01  0.141067D+01  0.292768D+01  0.166092D+01 -0.995931D+00
               146           147           148           149           150 
      1   0.962982D+01  0.311553D+01  0.881073D+01  0.978301D+01  0.991339D+00
      2  -0.465446D+01 -0.215507D+01 -0.376033D+01 -0.433641D+01 -0.822892D+00
      3  -0.497536D+01 -0.960466D+00 -0.505040D+01 -0.544660D+01 -0.168448D+00
      4   0.107237D+02  0.379694D+00  0.165242D+02  0.514972D+01  0.812144D+00
      5   0.374963D+00  0.107930D+02  0.204964D+01  0.796927D+00  0.137366D+01
      6   0.146491D+00  0.905928D+00  0.457342D+00 -0.159936D-01  0.176217D+01
               151           152           153           154           155 
      1   0.389321D+01  0.105978D+01  0.266449D+01  0.227274D+02 -0.135975D+02
      2  -0.216727D+01 -0.551973D+00 -0.164040D+01 -0.415079D+01 -0.137093D+01
      3  -0.172593D+01 -0.507810D+00 -0.102410D+01 -0.185766D+02  0.149685D+02
      4   0.224021D+01  0.924197D+00  0.506941D+00 -0.336687D+02  0.306944D+02
      5   0.173969D+01  0.232953D+00  0.664755D+00 -0.338003D+01  0.239794D+01
      6   0.114724D+00  0.671480D+00  0.247134D+00  0.127423D+01 -0.106762D+01
               156           157           158           159           160 
      1  -0.133479D+01 -0.981035D+01  0.336954D+01  0.342255D+00 -0.535952D+00
      2   0.510460D+00 -0.637758D+01  0.172231D+02  0.399834D+00 -0.724320D+00
      3   0.824327D+00  0.161879D+02 -0.205926D+02 -0.742089D+00  0.126027D+01
      4   0.219140D+01  0.344244D+02 -0.443399D+02 -0.371615D+01  0.330438D+01
      5   0.617757D+01  0.352489D+01 -0.398921D+01 -0.553182D+01  0.190348D+01
      6  -0.322806D+01 -0.216011D+01  0.293516D+01  0.585338D+01 -0.129563D+01
               161           162           163           164           165 
      1   0.142710D-01  0.594383D-01 -0.512996D+01 -0.918800D+01 -0.133471D+01
      2   0.157673D+01  0.868610D+00  0.666357D+01  0.114550D+02  0.988202D+00
      3  -0.159100D+01 -0.928048D+00 -0.153361D+01 -0.226696D+01  0.346505D+00
      4  -0.396846D+01 -0.202660D+01  0.356981D+01  0.722180D+01  0.690822D+00
      5  -0.171859D+01 -0.801640D+00  0.434888D+00  0.498622D+00  0.137463D+01
      6   0.200064D+01  0.931939D+00  0.118829D+01  0.196712D+01  0.207558D+01
               166           167           168           169           170 
      1  -0.712641D+01 -0.342683D+02 -0.414497D+01 -0.124662D+01 -0.444201D+01
      2   0.870584D+01  0.467808D+02  0.395838D+01  0.155351D+01  0.556363D+01
      3  -0.157942D+01 -0.125125D+02  0.186588D+00 -0.306896D+00 -0.112162D+01
      4   0.557021D+01 -0.130010D+01 -0.452888D+00  0.816506D+00  0.329656D-01
      5   0.723821D+00 -0.684461D+00  0.176209D-01  0.161642D+00  0.539269D+00
      6   0.132259D+01  0.704274D+01  0.755748D+01  0.371068D+00  0.272719D+01
               171           172           173           174           175 
      1  -0.178883D+01  0.589972D+01  0.458150D-01  0.325567D+01 -0.435705D+01
      2   0.246403D+01 -0.408164D+01 -0.125935D+01 -0.248559D+01 -0.656998D-01
      3  -0.675195D+00 -0.181809D+01  0.121353D+01 -0.770074D+00  0.442275D+01
      4   0.120037D+01  0.590178D+00  0.503669D+01  0.107302D+01  0.806083D+01
      5   0.206303D+00  0.423148D+01  0.138069D+01  0.216290D+01 -0.338429D+01
      6   0.163258D+01  0.187162D+01  0.113418D+01  0.103771D+01  0.166011D+01
               176           177           178           179           180 
      1  -0.773120D+01  0.211010D+01 -0.650760D+00  0.101835D+01 -0.232149D+01
      2   0.200583D+02  0.189692D+01 -0.580615D+00  0.230903D+01  0.128662D+01
      3  -0.123271D+02 -0.400702D+01  0.123137D+01 -0.332739D+01  0.103487D+01
      4  -0.317254D+02  0.107134D+01  0.178652D+01 -0.577174D+01 -0.267961D+01
      5   0.233451D+00 -0.695588D+01  0.141654D+01 -0.278926D+01 -0.985128D+00
      6  -0.120658D+02  0.383694D+01 -0.242011D+00  0.207057D+01 -0.227234D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.360882D+00      0.917270D+00      0.305968D+01
   y          0.147143D+00      0.374000D+00      0.124753D+01
   z          0.289654D-01      0.736228D-01      0.245579D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.125906D+03      0.186573D+02      0.207590D+02
   yx        -0.533706D+00     -0.790871D-01     -0.879962D-01
   yy         0.101148D+03      0.149886D+02      0.166770D+02
   zx         0.422352D+00      0.625861D-01      0.696364D-01
   zy         0.265997D+01      0.394167D+00      0.438570D+00
   zz         0.709135D+02      0.105083D+02      0.116920D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108786D+03      0.161204D+02      0.179364D+02
   aniso      0.512655D+02      0.759677D+01      0.845255D+01
   xx         0.138036D+03      0.204548D+02      0.227590D+02
   yx        -0.224067D+00     -0.332033D-01     -0.369436D-01
   yy         0.109217D+03      0.161843D+02      0.180074D+02
   zx         0.102460D+01      0.151830D+00      0.168933D+00
   zy         0.257379D+01      0.381397D+00      0.424361D+00
   zz         0.791055D+02      0.117222D+02      0.130427D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.65449704         -2.97307924          2.90914220
     6          1.34761485         -2.39847818          0.36234366
     6          0.17708052         -0.16648001         -0.39438172
     6         -0.68420525          1.48842862          1.46956773
     6         -0.38526242          0.92692898          4.01368158
     6          0.78751187         -1.31047979          4.74431314
     6         -0.16572984          0.42570219         -3.18565930
     7          0.83987739          2.88108287         -3.98797758
     6         -2.93996066          0.25136088         -3.96403369
     1          2.63133418          3.11106598         -3.34898154
     1          0.88121588         -1.00928186         -4.24276135
     1         -3.71483254         -1.60132798         -3.50444705
     1         -3.12991415          0.58103997         -5.98901162
     1         -4.06529182          1.66701872         -2.96561715
     1         -1.59500067          3.24169522          0.93110753
     1         -1.06735647          2.23461291          5.43188537
     1          1.02573192         -1.74753345          6.72804857
     1          2.57595635         -4.71597170          3.45629751
     1          2.03153597         -3.70193384         -1.06243110
     1         -0.20178215          4.30960981         -3.24808267

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.390801D+00      0.993318D+00      0.331335D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.779180D+02      0.115463D+02      0.128469D+02
   yx        -0.140298D+02     -0.207899D+01     -0.231319D+01
   yy         0.981200D+02      0.145399D+02      0.161778D+02
   zx         0.555704D+01      0.823468D+00      0.916232D+00
   zy        -0.728247D+01     -0.107915D+01     -0.120072D+01
   zz         0.121929D+03      0.180680D+02      0.201034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.108786D+03      0.161204D+02      0.179364D+02
   aniso      0.512655D+02      0.759677D+01      0.845255D+01
   xx         0.859424D+02      0.127354D+02      0.141700D+02
   yx        -0.139782D+02     -0.207136D+01     -0.230470D+01
   yy         0.106661D+03      0.158056D+02      0.175861D+02
   zx         0.578063D+01      0.856600D+00      0.953096D+00
   zy        -0.850645D+01     -0.126053D+01     -0.140252D+01
   zz         0.133755D+03      0.198204D+02      0.220531D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-U22-29\Freq\RLC-PBEPBE\Gen\C8H11N1\PIERPA\16-Aug-2021\0\\
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=028200000
 0,3/108=0282000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )\\ROA calculations.\\0,1\C,2.111307,-1.069417,-0.102024\C,0.734884,-1
 .260349,-0.166437\C,-0.14489,-0.185381,-0.068831\C,0.388544,1.09369,0.
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 ersion=ES64L-G16RevA.03\State=1-A\HF=-366.4010016\RMSD=4.082e-09\RMSF=
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 TOM, TOM, THE BURGLAR'S SON
 STOLE A MACHINE AND AWAY HE RUN
 THE JOB WAS NEAT, BUT TOM GOT BEAT
 BY THE TIME HE GOT HOME IT WAS OBSOLETE.
 Job cpu time:       0 days  4 hours  6 minutes 40.0 seconds.
 Elapsed time:       0 days  0 hours 30 minutes 55.5 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:53:03 2021.
